(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-oxidanyl-17-[(2R,3R,6R)-2-oxidanyl-6-propan-2-yl-oxan-3-yl]-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one

Systemtic Name: (5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-oxidanyl-17-[(2R,3R,6R)-2-oxidanyl-6-propan-2-yl-oxan-3-yl]-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one Openeye Name: (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-17-[(2R,3R,6R)-2-hydroxy-6-isopropyl-tetrahydropyran-3-yl]-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one CAS Name: (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-17-[(2R,3R,6R)-2-hydroxy-6-propan-2-yl-3-oxanyl]-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one IUPAC Name: (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-17-[(2R,3R,6R)-2-hydroxy-6-propan-2-yloxan-3-yl]-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one Traditional Name: (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-17-[(2R,3R,6R)-2-hydroxy-6-isopropyl-tetrahydropyran-3-yl]-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one Formula: C27H44O4 MolecularWeight: 432.63586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCC(C(O1)O)C2(CCC3C2(CCC4C3CCC5C4(CCC(=O)C5)C)C)O

Isomeric SMILES

CC(C)[C@H]1CC[C@@H]([C@@H](O1)O)[C@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CCC(=O)C5)C)C)O

InChI

InChI=1S/C27H44O4/c1-16(2)23-8-7-22(24(29)31-23)27(30)14-11-21-19-6-5-17-15-18(28)9-12-25(17,3)20(19)10-13-26(21,27)4/h16-17,19-24,29-30H,5-15H2,1-4H3/t17-,19+,20-,21-,22-,23+,24+,25-,26-,27-/m0/s1