1-[(4bS,8aS,10R)-4b,8,8-trimethyl-1,10-bis(oxidanyl)-3,4-bis(oxidanylidene)-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]ethyl ethanoate

Systemtic Name: 1-[(4bS,8aS,10R)-4b,8,8-trimethyl-1,10-bis(oxidanyl)-3,4-bis(oxidanylidene)-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]ethyl ethanoate Openeye Name: 1-[(4bS,8aS,10R)-1,10-dihydroxy-4b,8,8-trimethyl-3,4-dioxo-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]ethyl acetate CAS Name: acetic acid 1-[(4bS,8aS,10R)-1,10-dihydroxy-4b,8,8-trimethyl-3,4-dioxo-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]ethyl ester IUPAC Name: 1-[(4bS,8aS,10R)-1,10-dihydroxy-4b,8,8-trimethyl-3,4-dioxo-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]ethyl acetate Traditional Name: acetic acid 1-[(4bS,8aS,10R)-1,10-dihydroxy-3,4-diketo-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]ethyl ester Formula: C21H28O6 MolecularWeight: 376.44342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C2=C(C(=O)C1=O)C3(CCCC(C3CC2O)(C)C)C)O)OC(=O)C

Isomeric SMILES

CC(C1=C(C2=C(C(=O)C1=O)[C@]3(CCCC([C@@H]3C[C@H]2O)(C)C)C)O)OC(=O)C

InChI

InChI=1S/C21H28O6/c1-10(27-11(2)22)14-17(24)15-12(23)9-13-20(3,4)7-6-8-21(13,5)16(15)19(26)18(14)25/h10,12-13,23-24H,6-9H2,1-5H3/t10?,12-,13+,21+/m1/s1