Mrv0541 05061311492D 83 90 0 0 0 0 999 V2000 7.7456 1.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7583 2.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9830 2.3821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0503 4.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9184 9.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3228 1.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8069 1.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7781 -0.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5902 -0.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0168 0.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3340 -0.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 1.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4311 1.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6175 2.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4342 -0.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1827 1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4067 -2.6912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4309 6.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8803 5.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5402 8.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4347 2.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9411 2.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2939 1.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5567 5.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4120 9.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2463 -0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0976 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8705 0.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 0.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6826 0.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3387 0.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1111 1.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9385 -2.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1200 7.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6975 5.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8511 7.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9948 1.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7507 -2.2057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6264 7.6798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2039 6.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2825 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3155 8.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0211 6.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9792 6.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0022 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4983 8.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4728 5.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6683 7.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3320 5.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6302 3.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1901 -0.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9919 7.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6556 6.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8256 4.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9629 0.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5266 0.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6870 -3.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2482 6.1514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2458 6.0901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5948 9.2339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4220 0.7409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2751 1.9643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0310 -2.9816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4436 7.5669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8930 7.1671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0946 -1.7202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8219 9.0953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5275 6.9414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7964 6.4900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 -0.1684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1874 9.3210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7837 5.1873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8129 3.5719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3739 5.2131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7229 8.3569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9098 0.1221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6582 -1.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3028 7.1413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0084 4.9874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3447 6.8285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1747 8.0183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1492 5.4130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1365 4.1104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 13 12 1 0 0 0 0 21 1 1 0 0 0 0 21 14 1 0 0 0 0 22 2 1 0 0 0 0 22 21 2 0 0 0 0 23 3 1 0 0 0 0 24 4 1 0 0 0 0 25 5 1 0 0 0 0 26 8 2 0 0 0 0 26 15 1 0 0 0 0 27 15 1 0 0 0 0 27 16 1 0 0 0 0 28 9 1 0 0 0 0 29 10 1 0 0 0 0 29 23 1 0 0 0 0 30 11 1 0 0 0 0 30 28 1 0 0 0 0 31 12 1 0 0 0 0 31 28 1 0 0 0 0 32 14 1 0 0 0 0 32 23 1 0 0 0 0 33 17 1 0 0 0 0 34 18 1 0 0 0 0 35 19 1 0 0 0 0 36 20 1 0 0 0 0 37 16 1 0 0 0 0 38 33 1 0 0 0 0 39 34 1 0 0 0 0 40 35 1 0 0 0 0 41 38 1 0 0 0 0 42 39 1 0 0 0 0 43 40 1 0 0 0 0 45 41 1 0 0 0 0 46 42 1 0 0 0 0 47 44 1 0 0 0 0 48 36 1 0 0 0 0 48 44 1 0 0 0 0 49 43 1 0 0 0 0 50 22 1 0 0 0 0 51 45 1 0 0 0 0 52 46 1 0 0 0 0 53 47 1 0 0 0 0 54 49 1 0 0 0 0 55 6 1 0 0 0 0 55 13 1 0 0 0 0 55 29 1 0 0 0 0 55 30 1 0 0 0 0 56 7 1 0 0 0 0 56 26 1 0 0 0 0 56 31 1 0 0 0 0 56 37 1 0 0 0 0 57 17 1 0 0 0 0 58 18 1 0 0 0 0 59 24 2 0 0 0 0 60 25 2 0 0 0 0 61 32 1 0 0 0 0 62 37 1 0 0 0 0 63 38 1 0 0 0 0 64 39 1 0 0 0 0 65 40 1 0 0 0 0 66 41 1 0 0 0 0 67 42 1 0 0 0 0 68 43 1 0 0 0 0 69 44 1 0 0 0 0 70 45 1 0 0 0 0 71 46 1 0 0 0 0 72 47 1 0 0 0 0 73 50 2 0 0 0 0 74 19 1 0 0 0 0 74 24 1 0 0 0 0 75 20 1 0 0 0 0 75 25 1 0 0 0 0 76 27 1 0 0 0 0 76 51 1 0 0 0 0 77 33 1 0 0 0 0 77 51 1 0 0 0 0 78 34 1 0 0 0 0 78 52 1 0 0 0 0 79 35 1 0 0 0 0 79 54 1 0 0 0 0 80 36 1 0 0 0 0 80 53 1 0 0 0 0 81 48 1 0 0 0 0 81 52 1 0 0 0 0 82 49 1 0 0 0 0 82 53 1 0 0 0 0 83 50 1 0 0 0 0 83 54 1 0 0 0 0 M END > CHEM033601 > chemdb > CC(C(O)C\C(C)=C(\C)C(=O)OC1OC(COC(C)=O)C(O)C(O)C1OC1OC(COC(C)=O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O > InChI=1S/C56H88O27/c1-21(14-32(61)23(3)29-10-11-30-28-9-8-26-15-27(76-51-45(70)41(66)38(63)33(17-57)77-51)16-37(62)56(26,7)31(28)12-13-55(29,30)6)22(2)50(73)83-54-49(43(68)40(65)35(79-54)19-74-24(4)59)82-53-47(72)44(69)48(36(80-53)20-75-25(5)60)81-52-46(71)42(67)39(64)34(18-58)78-52/h8,23,27-49,51-54,57-58,61-72H,9-20H2,1-7H3/b22-21- > HVFSJXUIRWUHRG-DQRAZIAOSA-N > C56H88O27 > 1193.2817 > 1192.55129761 > 24 > 123.63925208223596 > 0 > 14 > 0 > 0 > 6-[(acetyloxy)methyl]-3-({6-[(acetyloxy)methyl]-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl (2Z)-5-hydroxy-6-(3-hydroxy-2,15-dimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl)-2,3-dimethylhept-2-enoate > -0.97 > -2.9349973263333307 > -3.04 > 1 > 8 > 0 > 12.183815907430045 > 11.750326187107884 > -3.6494023343121293 > 426.7300000000002 > 278.50419999999997 > 21 > 0 > 1.08e+00 g/l > 6-[(acetyloxy)methyl]-3-({6-[(acetyloxy)methyl]-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl (2Z)-5-hydroxy-6-(3-hydroxy-2,15-dimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl)-2,3-dimethylhept-2-enoate > 0 > 1alpha,3beta,22R-Trihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucoside 26-O-[b-D-glucosyl-(1->4)-6-acetyl-b-D-glucosyl-(1->2)-6-acetyl-b-D-glucosyl] ester > 155520-08-4 $$$$