(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-[(1R,2R)-2-carboxycyclohexyl]carbonyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxidanylidene-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid

Systemtic Name: (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-[(1R,2R)-2-carboxycyclohexyl]carbonyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxidanylidene-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid Openeye Name: (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-[(1R,2R)-2-carboxycyclohexanecarbonyl]oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid CAS Name: (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-[[(1R,2R)-2-carboxycyclohexyl]-oxomethoxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid IUPAC Name: (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-[(1R,2R)-2-carboxycyclohexanecarbonyl]oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid Traditional Name: (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-[(1R,2R)-2-carboxycyclohexanecarbonyl]oxy-13-keto-2,4a,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid Formula: C38H56O7 MolecularWeight: 624.84704

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC3(C(C2(CCC1OC(=O)C4CCCCC4C(=O)O)C)C(=O)C=C5C3(CCC6(C5CC(CC6)(C)C(=O)O)C)C)C)C

Isomeric SMILES

C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)[C@@H]6CCCC[C@H]6C(=O)O)C)(C)C(=O)O

InChI

InChI=1S/C38H56O7/c1-33(2)27-12-15-38(7)29(36(27,5)14-13-28(33)45-31(42)23-11-9-8-10-22(23)30(40)41)26(39)20-24-25-21-35(4,32(43)44)17-16-34(25,3)18-19-37(24,38)6/h20,22-23,25,27-29H,8-19,21H2,1-7H3,(H,40,41)(H,43,44)/t22-,23-,25+,27+,28+,29-,34-,35+,36+,37-,38-/m1/s1