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

Systemtic Name: (2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-10-oxidanyl-5-oxidanylidene-3,4,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picene-2-carboxylic acid Openeye Name: (2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-5-oxo-3,4,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picene-2-carboxylic acid CAS Name: (2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-5-oxo-3,4,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picene-2-carboxylic acid IUPAC Name: (2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-5-oxo-3,4,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picene-2-carboxylic acid Traditional Name: (2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-5-keto-2,4a,6a,6b,9,12a-hexamethyl-9-methylol-3,4,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picene-2-carboxylic acid Formula: C30H46O5 MolecularWeight: 486.68324

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2=O)C)C)(C)CO)O)C)C)C(=O)O

Isomeric SMILES

C[C@]1(CC[C@]2([C@@H](C1)C3=CC[C@@H]4[C@]5(CC[C@@H]([C@@]([C@@H]5CC[C@]4([C@@]3(CC2=O)C)C)(C)CO)O)C)C)C(=O)O

InChI

InChI=1S/C30H46O5/c1-25(24(34)35)13-14-26(2)19(15-25)18-7-8-21-27(3)11-10-22(32)28(4,17-31)20(27)9-12-29(21,5)30(18,6)16-23(26)33/h7,19-22,31-32H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22-,25+,26-,27-,28-,29+,30+/m0/s1