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

Systemtic Name: (1R,2R,4aS,6aS,6bR,9R,10S,12aS)-1,2,6a,6b,9,12a-hexamethyl-1,10-bis(oxidanyl)-3,4,5,6,6a,7,8,8a,9,10,11,12,13,14b-tetradecahydro-2H-picene-4a-carboxylic acid Openeye Name: (1R,2R,4aS,6aS,6bR,9R,10S,12aS)-1,10-dihydroxy-1,2,6a,6b,9,12a-hexamethyl-3,4,5,6,6a,7,8,8a,9,10,11,12,13,14b-tetradecahydro-2H-picene-4a-carboxylic acid CAS Name: (1R,2R,4aS,6aS,6bR,9R,10S,12aS)-1,10-dihydroxy-1,2,6a,6b,9,12a-hexamethyl-3,4,5,6,6a,7,8,8a,9,10,11,12,13,14b-tetradecahydro-2H-picene-4a-carboxylic acid IUPAC Name: (1R,2R,4aS,6aS,6bR,9R,10S,12aS)-1,10-dihydroxy-1,2,6a,6b,9,12a-hexamethyl-3,4,5,6,6a,7,8,8a,9,10,11,12,13,14b-tetradecahydro-2H-picene-4a-carboxylic acid Traditional Name: (1R,2R,4aS,6aS,6bR,9R,10S,12aS)-1,10-dihydroxy-1,2,6a,6b,9,12a-hexamethyl-3,4,5,6,6a,7,8,8a,9,10,11,12,13,14b-tetradecahydro-2H-picene-4a-carboxylic acid Formula: C29H46O4 MolecularWeight: 458.67314

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5C)O)C)C)C2C1(C)O)C)C(=O)O

Isomeric SMILES

C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CC[C@@H]([C@@H]5C)O)C)C)C2[C@]1(C)O)C)C(=O)O

InChI

InChI=1S/C29H46O4/c1-17-9-14-29(24(31)32)16-15-26(4)20(23(29)28(17,6)33)7-8-22-25(3)12-11-21(30)18(2)19(25)10-13-27(22,26)5/h7,17-19,21-23,30,33H,8-16H2,1-6H3,(H,31,32)/t17-,18-,19?,21+,22?,23?,25+,26-,27-,28-,29+/m1/s1