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

Systemtic Name: (2S,4aS,6aR,6aS,6bR,8aR,12aS,13R,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxidanyl-10-oxidanylidene-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxylic acid Openeye Name: (2S,4aS,6aR,6aS,6bR,8aR,12aS,13R,14bR)-13-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxylic acid CAS Name: (2S,4aS,6aR,6aS,6bR,8aR,12aS,13R,14bR)-13-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxylic acid IUPAC Name: (2S,4aS,6aR,6aS,6bR,8aR,12aS,13R,14bR)-13-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxylic acid Traditional Name: (2S,4aS,6aR,6aS,6bR,8aR,12aS,13R,14bR)-13-hydroxy-10-keto-2,4a,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxylic acid Formula: C30H46O4 MolecularWeight: 470.68384

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC3(C(C2(CCC1=O)C)C(C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19-21,23,31H,8-15,17H2,1-7H3,(H,33,34)/t19-,20+,21-,23+,26+,27-,28-,29+,30+/m0/s1