(2S,3R,10R,11R,13S,17S)-10,13-dimethyl-17-[(1S)-1-[3-(3-methyl-3-oxidanyl-butan-2-yl)oxiran-2-yl]-1-oxidanyl-ethyl]-2,3,11-tris(oxidanyl)-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one

Systemtic Name: (2S,3R,10R,11R,13S,17S)-10,13-dimethyl-17-[(1S)-1-[3-(3-methyl-3-oxidanyl-butan-2-yl)oxiran-2-yl]-1-oxidanyl-ethyl]-2,3,11-tris(oxidanyl)-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one Openeye Name: (2S,3R,10R,11R,13S,17S)-2,3,11-trihydroxy-17-[(1S)-1-hydroxy-1-[3-(2-hydroxy-1,2-dimethyl-propyl)oxiran-2-yl]ethyl]-10,13-dimethyl-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one CAS Name: (2S,3R,10R,11R,13S,17S)-2,3,11-trihydroxy-17-[(1S)-1-hydroxy-1-[3-(3-hydroxy-3-methylbutan-2-yl)-2-oxiranyl]ethyl]-10,13-dimethyl-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one IUPAC Name: (2S,3R,10R,11R,13S,17S)-2,3,11-trihydroxy-17-[(1S)-1-hydroxy-1-[3-(3-hydroxy-3-methylbutan-2-yl)oxiran-2-yl]ethyl]-10,13-dimethyl-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one Traditional Name: (2S,3R,10R,11R,13S,17S)-2,3,11-trihydroxy-17-[(1S)-1-hydroxy-1-[3-(2-hydroxy-1,2-dimethyl-propyl)oxiran-2-yl]ethyl]-10,13-dimethyl-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one Formula: C28H44O7 MolecularWeight: 492.64476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(O1)C(C)(C2CCC3C2(CC(C4C3=CC(=O)C5C4(CC(C(C5)O)O)C)O)C)O)C(C)(C)O

Isomeric SMILES

CC(C1C(O1)[C@](C)([C@H]2CCC3[C@@]2(C[C@H](C4C3=CC(=O)C5[C@@]4(C[C@@H]([C@@H](C5)O)O)C)O)C)O)C(C)(C)O

InChI

InChI=1S/C28H44O7/c1-13(25(2,3)33)23-24(35-23)28(6,34)21-8-7-15-14-9-17(29)16-10-18(30)19(31)11-27(16,5)22(14)20(32)12-26(15,21)4/h9,13,15-16,18-24,30-34H,7-8,10-12H2,1-6H3/t13?,15?,16?,18-,19+,20-,21+,22?,23?,24?,26+,27+,28+/m1/s1