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

Systemtic Name: (5R,8R,9S,10S,13R,14S,17R)-17-[(2R)-4-(3,3-dimethyloxiran-2-yl)butan-2-yl]-10,13-dimethyl-7-oxidanyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one Openeye Name: (5R,8R,9S,10S,13R,14S,17R)-17-[(1R)-3-(3,3-dimethyloxiran-2-yl)-1-methyl-propyl]-7-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one CAS Name: (5R,8R,9S,10S,13R,14S,17R)-17-[(2R)-4-(3,3-dimethyl-2-oxiranyl)butan-2-yl]-7-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one IUPAC Name: (5R,8R,9S,10S,13R,14S,17R)-17-[(2R)-4-(3,3-dimethyloxiran-2-yl)butan-2-yl]-7-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one Traditional Name: (5R,8R,9S,10S,13R,14S,17R)-17-[(1R)-3-(3,3-dimethyloxiran-2-yl)-1-methyl-propyl]-7-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one Formula: C27H44O3 MolecularWeight: 416.63646

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1C(O1)(C)C)C2CCC3C2(CCC4C3C(CC5C4(CCC(=O)C5)C)O)C

Isomeric SMILES

C[C@H](CCC1C(O1)(C)C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C(C[C@H]5[C@@]4(CCC(=O)C5)C)O)C

InChI

InChI=1S/C27H44O3/c1-16(6-9-23-25(2,3)30-23)19-7-8-20-24-21(11-13-27(19,20)5)26(4)12-10-18(28)14-17(26)15-22(24)29/h16-17,19-24,29H,6-15H2,1-5H3/t16-,17+,19-,20+,21+,22?,23?,24+,26+,27-/m1/s1