(3R,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxidanyl-17-[(1S)-1-oxidanylethyl]-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-one

Systemtic Name: (3R,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxidanyl-17-[(1S)-1-oxidanylethyl]-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-one Openeye Name: (3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-one CAS Name: (3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-one IUPAC Name: (3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-one Traditional Name: (3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-one Formula: C21H34O3 MolecularWeight: 334.49286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(=O)CC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O

Isomeric SMILES

C[C@@H]([C@H]1C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C)O

InChI

InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h12-17,19,22-23H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17-,19-,20-,21-/m0/s1