NSC676797
Molecular Formula:
C36H58O9
InChI: InChI=1/C36H58O9/c1-31(2)14-15-36(30(42)43)20(16-31)19-8-9-23-33(5)12-11-25(45-29-28(41)27(40)26(39)21(18-37)44-29)32(3,4)22(33)10-13-34(23,6)35(19,7)17-24(36)38/h8,20-29,37-41H,9-18H2,1-7H3,(H,42,43)/t20-,21u,22-,23+,24+,25-,26?,27?,28?,29?,33-,34+,35+,36+/m0/s1/f/h42H
InChIKey: InChIKey=WYDPEADEZMZKNM-PGPZLCJYDP
SMILES: CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)CO)O)O)O)C)C(=O)O)C
Names:
NSC676797
(4aR,5R,6aR,6aS,6bR,8aR,10S,12aS,14bR)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Registries:
PubChem CID 385539
PubChem ID 8142459
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