(2R)-2-[(1S)-1-[(8R,9S,10R,13S,17R)-10,13-dimethyl-17-oxidanyl-1-oxidanylidene-7,8,9,11,12,16-hexahydro-4H-cyclopenta[a]phenanthren-17-yl]-1-oxidanyl-ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one

Systemtic Name: (2R)-2-[(1S)-1-[(8R,9S,10R,13S,17R)-10,13-dimethyl-17-oxidanyl-1-oxidanylidene-7,8,9,11,12,16-hexahydro-4H-cyclopenta[a]phenanthren-17-yl]-1-oxidanyl-ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one Openeye Name: (2R)-2-[(1S)-1-hydroxy-1-[(8R,9S,10R,13S,17R)-17-hydroxy-10,13-dimethyl-1-oxo-7,8,9,11,12,16-hexahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one CAS Name: (2R)-2-[(1S)-1-hydroxy-1-[(8R,9S,10R,13S,17R)-17-hydroxy-10,13-dimethyl-1-oxo-7,8,9,11,12,16-hexahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one IUPAC Name: (2R)-2-[(1S)-1-hydroxy-1-[(8R,9S,10R,13S,17R)-17-hydroxy-10,13-dimethyl-1-oxo-7,8,9,11,12,16-hexahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one Traditional Name: (2R)-2-[(1S)-1-hydroxy-1-[(8R,9S,10R,13S,17R)-17-hydroxy-1-keto-10,13-dimethyl-7,8,9,11,12,16-hexahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one Formula: C28H36O5 MolecularWeight: 452.58244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC(C1)C(C)(C2(CC=C3C2(CCC4C3CC=C5C4(C(=O)C=CC5)C)C)O)O)C

Isomeric SMILES

CC1=C(C(=O)O[C@H](C1)[C@@](C)([C@]2(CC=C3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(C(=O)C=CC5)C)C)O)O)C

InChI

InChI=1S/C28H36O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)28(32)14-12-20-19-10-9-18-7-6-8-22(29)26(18,4)21(19)11-13-25(20,28)3/h6,8-9,12,19,21,23,31-32H,7,10-11,13-15H2,1-5H3/t19-,21-,23+,25-,26-,27-,28+/m0/s1