Mrv0541 05061307462D 95105 0 0 0 0 999 V2000 6.0109 -0.5159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8688 2.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6227 4.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6833 4.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4193 1.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6035 -1.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7241 0.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3453 -0.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0096 2.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2952 1.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2951 -0.5159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8483 0.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1338 1.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0096 -0.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8675 3.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4386 0.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8675 2.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1530 1.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4386 3.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8495 -1.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1556 2.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2978 2.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6641 -1.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0110 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1543 3.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7241 1.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4386 2.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8701 3.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0123 3.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1351 -1.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4193 -0.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2952 1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8482 -0.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7254 0.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8701 4.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1351 -2.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4206 -2.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7254 1.5465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7061 0.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7061 -0.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4399 4.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1557 4.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7061 -2.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7254 4.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2978 4.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1543 4.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0122 4.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9917 1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0109 1.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9917 -0.5159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9917 1.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4412 4.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5833 4.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7254 3.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7061 -1.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2965 1.5465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2772 -0.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8675 1.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1530 3.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4193 0.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1338 -0.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7241 1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0097 0.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1531 1.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5640 -1.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3819 -1.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5846 2.7840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7267 2.7841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4399 0.3091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5846 4.4341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8495 -2.9910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4206 -3.8159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4399 1.9590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4206 1.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4206 -0.5160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4399 5.2590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1557 5.2590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9917 -2.9909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0109 4.4340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2977 5.2591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2772 2.3715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7062 2.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8675 0.7215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4412 3.1966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5833 3.1965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2965 0.7215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4399 2.7840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4206 -1.3409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5627 -0.5160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8688 4.4341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7267 4.4340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2772 0.7215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0109 2.7841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9917 -1.3410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5820 1.9591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10 9 1 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 24 1 1 0 0 0 0 25 2 1 0 0 0 0 26 9 2 0 0 0 0 27 19 1 0 0 0 0 27 26 1 0 0 0 0 28 21 1 0 0 0 0 29 22 1 0 0 0 0 30 20 1 0 0 0 0 31 11 1 0 0 0 0 32 10 1 0 0 0 0 33 12 1 0 0 0 0 34 24 1 0 0 0 0 35 28 1 0 0 0 0 36 30 1 0 0 0 0 37 36 1 0 0 0 0 38 34 1 0 0 0 0 40 39 1 0 0 0 0 42 35 1 0 0 0 0 43 37 1 0 0 0 0 44 41 1 0 0 0 0 46 25 1 0 0 0 0 46 41 1 0 0 0 0 47 29 1 0 0 0 0 47 45 1 0 0 0 0 48 39 1 0 0 0 0 49 38 1 0 0 0 0 50 40 1 0 0 0 0 51 48 1 0 0 0 0 52 42 1 0 0 0 0 53 45 1 0 0 0 0 54 44 1 0 0 0 0 55 43 1 0 0 0 0 56 49 1 0 0 0 0 57 50 1 0 0 0 0 59 3 1 0 0 0 0 59 4 1 0 0 0 0 59 15 1 0 0 0 0 59 19 1 0 0 0 0 60 5 1 0 0 0 0 60 13 1 0 0 0 0 60 31 1 0 0 0 0 60 32 1 0 0 0 0 61 6 1 0 0 0 0 61 23 1 0 0 0 0 61 31 1 0 0 0 0 61 33 1 0 0 0 0 62 7 1 0 0 0 0 62 16 1 0 0 0 0 62 26 1 0 0 0 0 63 8 1 0 0 0 0 63 14 1 0 0 0 0 63 32 1 0 0 0 0 63 62 1 0 0 0 0 64 17 1 0 0 0 0 64 18 1 0 0 0 0 64 27 1 0 0 0 0 64 58 1 0 0 0 0 65 20 1 0 0 0 0 66 23 2 0 0 0 0 67 28 1 0 0 0 0 68 29 1 0 0 0 0 69 34 1 0 0 0 0 70 35 1 0 0 0 0 71 36 1 0 0 0 0 72 37 1 0 0 0 0 73 38 1 0 0 0 0 74 39 1 0 0 0 0 75 40 1 0 0 0 0 76 41 1 0 0 0 0 77 42 1 0 0 0 0 78 43 1 0 0 0 0 79 44 1 0 0 0 0 80 45 1 0 0 0 0 81 51 2 0 0 0 0 82 51 1 0 0 0 0 83 58 2 0 0 0 0 84 21 1 0 0 0 0 84 52 1 0 0 0 0 85 22 1 0 0 0 0 85 53 1 0 0 0 0 86 24 1 0 0 0 0 86 56 1 0 0 0 0 87 25 1 0 0 0 0 87 54 1 0 0 0 0 88 30 1 0 0 0 0 88 55 1 0 0 0 0 89 33 1 0 0 0 0 89 57 1 0 0 0 0 90 46 1 0 0 0 0 90 53 1 0 0 0 0 91 47 1 0 0 0 0 91 52 1 0 0 0 0 92 48 1 0 0 0 0 92 57 1 0 0 0 0 93 49 1 0 0 0 0 93 54 1 0 0 0 0 94 50 1 0 0 0 0 94 55 1 0 0 0 0 95 56 1 0 0 0 0 95 58 1 0 0 0 0 M END > CHEM028429 > chemdb > CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC4(C)C2(C)CC3)C(OC2OC(C)C(OC3OCC(O)C(OC4OCC(O)C(O)C4O)C3O)C(O)C2O)C(O)C1O > InChI=1S/C64H100O31/c1-24-34(69)38(73)49(93-54-44(79)41(76)46(25(2)87-54)90-53-45(80)47(29(68)22-85-53)91-52-42(77)35(70)28(67)21-84-52)56(86-24)95-58(83)64-17-15-59(3,4)19-27(64)26-9-10-32-60(5)13-12-33(61(6,23-66)31(60)11-14-63(32,8)62(26,7)16-18-64)89-57-50(40(75)39(74)48(92-57)51(81)82)94-55-43(78)37(72)36(71)30(20-65)88-55/h9,23-25,27-50,52-57,65,67-80H,10-22H2,1-8H3,(H,81,82) > WTPMILJLGNKZSN-UHFFFAOYSA-N > C64H100O31 > 1365.4602 > 1364.624856482 > 30 > 139.66363713664606 > 0 > 16 > 0 > 0 > 6-[(8a-{[(3-{[5-({3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxy-6-methyloxan-2-yl)oxy]carbonyl}-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid > 0.37 > -1.819572186333335 > -2.89 > 1 > 11 > -1 > 11.725542354567256 > 3.3099360728140224 > -3.693390105093335 > 485.65000000000026 > 313.7689999999997 > 16 > 0 > 1.77e+00 g/l > 6-[(8a-{[(3-{[5-({3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxy-6-methyloxan-2-yl)oxy]carbonyl}-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid > 0 > Silenoside A > 229484-38-2 $$$$