(1S,2R,4aS,6aS,6bR,9S,10S,12aS,14bR)-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
Molecular Formula:
C35H56O8
InChI: InChI=1/C35H56O8/c1-19-9-14-35(30(40)41)16-15-33(5)21(26(35)20(19)2)7-8-24-31(3)12-11-25(43-29-28(39)27(38)22(37)17-42-29)32(4,18-36)23(31)10-13-34(24,33)6/h7,19-20,22-29,36-39H,8-18H2,1-6H3,(H,40,41)/t19-,20+,22+,23u,24u,25+,26+,27+,28-,29+,31+,32+,33-,34-,35+/m1/s1/f/h40H
InChIKey: InChIKey=VLKSXELFNUEYKM-QZVOBWLHDZ
SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(CO6)O)O)O)C)C)C2C1C)C)C(=O)O
Names:
(1S,2R,4aS,6aS,6bR,9S,10S,12aS,14bR)-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
Registries:
PubChem CID 10008806
PubChem ID 14988655
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