5-[(3S,10R,13R,14S)-10,13-dimethyl-14-oxidanyl-3-[(1R)-2-oxidanyl-1-[(2S)-1-oxidanylpropan-2-yl]oxy-ethoxy]-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one

Systemtic Name: 5-[(3S,10R,13R,14S)-10,13-dimethyl-14-oxidanyl-3-[(1R)-2-oxidanyl-1-[(2S)-1-oxidanylpropan-2-yl]oxy-ethoxy]-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one Openeye Name: 5-[(3S,10R,13R,14S)-14-hydroxy-3-[(1R)-2-hydroxy-1-[(1S)-2-hydroxy-1-methyl-ethoxy]ethoxy]-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one CAS Name: 5-[(3S,10R,13R,14S)-14-hydroxy-3-[(1R)-2-hydroxy-1-[(2S)-1-hydroxypropan-2-yl]oxyethoxy]-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-pyranone IUPAC Name: 5-[(3S,10R,13R,14S)-14-hydroxy-3-[(1R)-2-hydroxy-1-[(2S)-1-hydroxypropan-2-yl]oxyethoxy]-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one Traditional Name: 5-[(3S,10R,13R,14S)-14-hydroxy-3-[(1R)-2-hydroxy-1-[(1S)-2-hydroxy-1-methyl-ethoxy]ethoxy]-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one Formula: C29H42O7 MolecularWeight: 502.63958

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)OC(CO)OC1CCC2(C3CCC4(C(CCC4(C3CCC2=C1)O)C5=COC(=O)C=C5)C)C

Isomeric SMILES

C[C@@H](CO)O[C@H](CO)O[C@H]1CC[C@@]2(C3CC[C@@]4(C(CC[C@@]4(C3CCC2=C1)O)C5=COC(=O)C=C5)C)C

InChI

InChI=1S/C29H42O7/c1-18(15-30)35-26(16-31)36-21-8-11-27(2)20(14-21)5-6-24-23(27)9-12-28(3)22(10-13-29(24,28)33)19-4-7-25(32)34-17-19/h4,7,14,17-18,21-24,26,30-31,33H,5-6,8-13,15-16H2,1-3H3/t18-,21-,22?,23?,24?,26-,27-,28+,29-/m0/s1