(2R,3S,10aR,12aS)-2-ethanoyl-10a,12a-dimethyl-3-phenyl-2,3,4,4a,4b,9,10,10b,11,12-decahydrochrysene-1,8-dione

Systemtic Name: (2R,3S,10aR,12aS)-2-ethanoyl-10a,12a-dimethyl-3-phenyl-2,3,4,4a,4b,9,10,10b,11,12-decahydrochrysene-1,8-dione Openeye Name: (2R,3S,10aR,12aS)-2-acetyl-10a,12a-dimethyl-3-phenyl-2,3,4,4a,4b,9,10,10b,11,12-decahydrochrysene-1,8-dione CAS Name: (2R,3S,10aR,12aS)-2-acetyl-10a,12a-dimethyl-3-phenyl-2,3,4,4a,4b,9,10,10b,11,12-decahydrochrysene-1,8-dione IUPAC Name: (2R,3S,10aR,12aS)-2-acetyl-10a,12a-dimethyl-3-phenyl-2,3,4,4a,4b,9,10,10b,11,12-decahydrochrysene-1,8-dione Traditional Name: (2R,3S,10aR,12aS)-2-acetyl-10a,12a-dimethyl-3-phenyl-2,3,4,4a,4b,9,10,10b,11,12-decahydrochrysene-1,8-quinone Formula: C28H32O3 MolecularWeight: 416.55188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(CC2C3C=CC4=CC(=O)CCC4(C3CCC2(C1=O)C)C)C5=CC=CC=C5

Isomeric SMILES

CC(=O)[C@H]1[C@H](CC2C3C=CC4=CC(=O)CC[C@@]4(C3CC[C@@]2(C1=O)C)C)C5=CC=CC=C5

InChI

InChI=1S/C28H32O3/c1-17(29)25-22(18-7-5-4-6-8-18)16-24-21-10-9-19-15-20(30)11-13-27(19,2)23(21)12-14-28(24,3)26(25)31/h4-10,15,21-25H,11-14,16H2,1-3H3/t21?,22-,23?,24?,25+,27+,28+/m1/s1