[10,13-dimethyl-15-oxidanylidene-17-[1-(6-oxidanylidene-4-propan-2-yl-oxan-2-yl)ethyl]-7,9-bis(phenylcarbonyloxy)-2,3,4,5,6,7,8,11,12,14-decahydro-1H-cyclopenta[a]phenanthren-6-yl] benzoate

Systemtic Name: [10,13-dimethyl-15-oxidanylidene-17-[1-(6-oxidanylidene-4-propan-2-yl-oxan-2-yl)ethyl]-7,9-bis(phenylcarbonyloxy)-2,3,4,5,6,7,8,11,12,14-decahydro-1H-cyclopenta[a]phenanthren-6-yl] benzoate Openeye Name: [7,9-dibenzoyloxy-17-[1-(4-isopropyl-6-oxo-tetrahydropyran-2-yl)ethyl]-10,13-dimethyl-15-oxo-2,3,4,5,6,7,8,11,12,14-decahydro-1H-cyclopenta[a]phenanthren-6-yl] benzoate CAS Name: benzoic acid [7,9-dibenzoyloxy-10,13-dimethyl-15-oxo-17-[1-(6-oxo-4-propan-2-yl-2-oxanyl)ethyl]-2,3,4,5,6,7,8,11,12,14-decahydro-1H-cyclopenta[a]phenanthren-6-yl] ester IUPAC Name: [7,9-dibenzoyloxy-10,13-dimethyl-15-oxo-17-[1-(6-oxo-4-propan-2-yloxan-2-yl)ethyl]-2,3,4,5,6,7,8,11,12,14-decahydro-1H-cyclopenta[a]phenanthren-6-yl] benzoate Traditional Name: benzoic acid [7,9-dibenzoyloxy-17-[1-(4-isopropyl-6-keto-tetrahydropyran-2-yl)ethyl]-15-keto-10,13-dimethyl-2,3,4,5,6,7,8,11,12,14-decahydro-1H-cyclopenta[a]phenanthren-6-yl] ester Formula: C50H56O9 MolecularWeight: 800.97424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CC(OC(=O)C1)C(C)C2=CC(=O)C3C2(CCC4(C3C(C(C5C4(CCCC5)C)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)C

Isomeric SMILES

CC(C)C1CC(OC(=O)C1)C(C)C2=CC(=O)C3C2(CCC4(C3C(C(C5C4(CCCC5)C)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)C

InChI

InChI=1S/C50H56O9/c1-30(2)35-27-39(56-40(52)28-35)31(3)37-29-38(51)41-42-44(58-46(54)33-19-11-7-12-20-33)43(57-45(53)32-17-9-6-10-18-32)36-23-15-16-24-49(36,5)50(42,26-25-48(37,41)4)59-47(55)34-21-13-8-14-22-34/h6-14,17-22,29-31,35-36,39,41-44H,15-16,23-28H2,1-5H3