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

Systemtic Name: (1S,2R,4aS,6aR,6aR,6bR,8aR,12aS,14bS)-1,2,6a,6a,6b,9,9,12a-octamethyl-10-oxidanylidene-2,3,4,5,6,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid Openeye Name: (1S,2R,4aS,6aR,6aR,6bR,8aR,12aS,14bS)-1,2,6a,6a,6b,9,9,12a-octamethyl-10-oxo-2,3,4,5,6,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid CAS Name: (1S,2R,4aS,6aR,6aR,6bR,8aR,12aS,14bS)-1,2,6a,6a,6b,9,9,12a-octamethyl-10-oxo-2,3,4,5,6,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid IUPAC Name: (1S,2R,4aS,6aR,6aR,6bR,8aR,12aS,14bS)-1,2,6a,6a,6b,9,9,12a-octamethyl-10-oxo-2,3,4,5,6,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid Traditional Name: (1S,2R,4aS,6aR,6aR,6bR,8aR,12aS,14bS)-10-keto-1,2,6a,6a,6b,9,9,12a-octamethyl-2,3,4,5,6,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid Formula: C31H48O3 MolecularWeight: 468.71102

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(CCC3(C(=CCC4(C3(CCC5C4(CCC(=O)C5(C)C)C)C)C)C2C1C)C)C(=O)O

Isomeric SMILES

C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@]4([C@]3(CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)C)[C@@H]2[C@H]1C)C)C(=O)O

InChI

InChI=1S/C31H48O3/c1-19-9-16-31(25(33)34)18-17-27(5)21(24(31)20(19)2)10-14-30(8)28(6)13-12-23(32)26(3,4)22(28)11-15-29(27,30)7/h10,19-20,22,24H,9,11-18H2,1-8H3,(H,33,34)/t19-,20+,22+,24+,27-,28+,29+,30-,31+/m1/s1