Mrv0541 05061311072D 108119 0 0 0 0 999 V2000 10.5133 4.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5739 4.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2870 -0.8793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2264 -0.8793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4713 1.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6147 0.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8967 1.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9002 2.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1857 2.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1857 -0.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0423 0.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7568 1.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9002 0.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7581 3.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3291 0.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7581 2.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0436 1.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3291 3.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6134 -1.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7594 3.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8169 2.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3879 -0.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8989 1.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4699 -3.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6160 0.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6147 2.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3291 2.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1844 0.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6134 -2.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7594 2.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1024 2.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3265 0.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 -2.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9015 0.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4713 0.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1857 1.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0423 0.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3278 -2.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4738 1.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1024 3.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7555 -2.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9015 -0.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3265 0.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3279 -3.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4739 0.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3879 3.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7555 -1.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1870 -0.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6134 -3.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7594 0.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3265 3.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 -1.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4726 -0.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7555 0.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1845 0.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 1.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8989 -0.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8989 -3.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0449 0.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3266 2.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1844 -1.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4726 0.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7555 0.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6134 0.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7581 1.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0436 3.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7568 -0.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4713 0.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6147 1.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9002 0.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0436 2.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3279 -1.0724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4739 3.4652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8169 1.4027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3879 -1.0723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 1.4027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0423 -2.3098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1883 2.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8169 3.8777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 -2.7223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6160 -0.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3879 1.4026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0423 -3.9599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1883 0.5776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3879 4.7027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 -1.0724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1870 -1.4848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6134 -4.7849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7594 -0.2474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 3.8777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9851 -0.4048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7581 -0.6599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0910 1.7438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4725 2.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6134 0.9901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1844 -3.9598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3304 0.5777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8989 -2.7223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0449 1.8151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3879 2.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 -0.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1845 -2.3099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1870 0.9902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3279 -0.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 -0.2474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 2.2276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8989 -1.0723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7581 0.9902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9 8 1 0 0 0 0 12 11 1 0 0 0 0 13 10 1 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 26 8 2 0 0 0 0 27 18 1 0 0 0 0 27 26 1 0 0 0 0 28 23 1 0 0 0 0 29 19 1 0 0 0 0 30 20 1 0 0 0 0 31 21 1 0 0 0 0 32 22 1 0 0 0 0 33 24 1 0 0 0 0 34 25 1 0 0 0 0 35 10 1 0 0 0 0 36 9 1 0 0 0 0 37 11 1 0 0 0 0 38 29 1 0 0 0 0 39 30 1 0 0 0 0 40 31 1 0 0 0 0 41 33 1 0 0 0 0 42 34 1 0 0 0 0 43 32 1 0 0 0 0 44 38 1 0 0 0 0 45 39 1 0 0 0 0 46 40 1 0 0 0 0 47 41 1 0 0 0 0 48 42 1 0 0 0 0 49 44 1 0 0 0 0 50 45 1 0 0 0 0 51 46 1 0 0 0 0 52 47 1 0 0 0 0 53 48 1 0 0 0 0 55 28 1 0 0 0 0 56 43 1 0 0 0 0 56 54 1 0 0 0 0 57 55 1 0 0 0 0 58 49 1 0 0 0 0 59 50 1 0 0 0 0 60 51 1 0 0 0 0 61 52 1 0 0 0 0 62 53 1 0 0 0 0 63 54 1 0 0 0 0 64 57 1 0 0 0 0 66 1 1 0 0 0 0 66 2 1 0 0 0 0 66 14 1 0 0 0 0 66 18 1 0 0 0 0 67 3 1 0 0 0 0 67 4 1 0 0 0 0 67 35 1 0 0 0 0 67 37 1 0 0 0 0 68 5 1 0 0 0 0 68 12 1 0 0 0 0 68 35 1 0 0 0 0 68 36 1 0 0 0 0 69 6 1 0 0 0 0 69 15 1 0 0 0 0 69 26 1 0 0 0 0 70 7 1 0 0 0 0 70 13 1 0 0 0 0 70 36 1 0 0 0 0 70 69 1 0 0 0 0 71 16 1 0 0 0 0 71 17 1 0 0 0 0 71 27 1 0 0 0 0 71 65 1 0 0 0 0 72 19 1 0 0 0 0 73 20 1 0 0 0 0 74 21 1 0 0 0 0 75 22 1 0 0 0 0 76 28 1 0 0 0 0 77 38 1 0 0 0 0 78 39 1 0 0 0 0 79 40 1 0 0 0 0 80 41 1 0 0 0 0 81 42 1 0 0 0 0 82 43 1 0 0 0 0 83 44 1 0 0 0 0 84 45 1 0 0 0 0 85 46 1 0 0 0 0 86 47 1 0 0 0 0 87 48 1 0 0 0 0 88 49 1 0 0 0 0 89 50 1 0 0 0 0 90 51 1 0 0 0 0 91 52 1 0 0 0 0 92 53 1 0 0 0 0 93 54 1 0 0 0 0 94 65 2 0 0 0 0 95 23 1 0 0 0 0 95 64 1 0 0 0 0 96 24 1 0 0 0 0 96 58 1 0 0 0 0 97 25 1 0 0 0 0 97 59 1 0 0 0 0 98 29 1 0 0 0 0 98 58 1 0 0 0 0 99 30 1 0 0 0 0 99 59 1 0 0 0 0 100 31 1 0 0 0 0 100 60 1 0 0 0 0 101 32 1 0 0 0 0 101 63 1 0 0 0 0 102 33 1 0 0 0 0 102 61 1 0 0 0 0 103 34 1 0 0 0 0 103 62 1 0 0 0 0 104 37 1 0 0 0 0 104 64 1 0 0 0 0 105 55 1 0 0 0 0 105 63 1 0 0 0 0 106 56 1 0 0 0 0 106 60 1 0 0 0 0 107 57 1 0 0 0 0 107 61 1 0 0 0 0 108 62 1 0 0 0 0 108 65 1 0 0 0 0 M END > CHEM032745 > chemdb > CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C6OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O > InChI=1S/C71H116O37/c1-66(2)14-16-71(65(94)108-62-53(92)48(87)42(81)34(103-62)25-97-59-50(89)45(84)39(78)30(20-73)99-59)17-15-69(6)26(27(71)18-66)8-9-36-68(5)12-11-37(67(3,4)35(68)10-13-70(36,69)7)104-64-57(107-61-52(91)47(86)41(80)33(102-61)24-96-58-49(88)44(83)38(77)29(19-72)98-58)55(28(76)23-95-64)105-63-54(93)56(43(82)32(22-75)101-63)106-60-51(90)46(85)40(79)31(21-74)100-60/h8,27-64,72-93H,9-25H2,1-7H3 > BIHRHVZSOZTEPC-UHFFFAOYSA-N > C71H116O37 > 1561.6585 > 1560.719544726 > 36 > 159.0822144834796 > 0 > 22 > 0 > 0 > 3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl 10-[(4-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate > -0.37 > -5.667913591999998 > -2.22 > 1 > 12 > 0 > 11.935515790260274 > 11.555988390804568 > -3.6786299712283608 > 591.3500000000004 > 354.57299999999947 > 21 > 0 > 9.46e+00 g/l > 3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl 10-[(4-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate > 0 > Congmunoside XIII > 329969-12-2 $$$$