(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one; (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol; (8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol

More details:

• Systematic name

  (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one; (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol; (8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol

• SMILES

  O=C4[C@@]3(C)CC[C@@H]2c1ccc(O)cc1CC[C@H]2[C@@H]3CC4.O=C1\C=C2/[C@](C)(CC1)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC2.Oc1cc2c(cc1)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC2.Oc1cc3c(cc1)[C@H]2CC[C@@]4([C@@H](O)[C@H](O)C[C@H]4[C@@H]2CC3)C

• Std. InChi

  InChI=1S/C19H28O2.C18H24O3.C18H24O2.C18H22O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18;1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21;2*1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11,14-17,21H,3-10H2,1-2H3;3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3;3,5,10,14-17,19-20H,2,4,6-9H2,1H3;3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16-,17-,18-,19-;13-,14-,15+,16-,17+,18+;14-,15-,16+,17+,18+;14-,15-,16+,18+/m0111/s1

• Std. InChIKey

  MDCYJZJFRSMQSA-OQCDHCHISA-N

• Cite this record

  CSID:8117228, http://www.chemspider.com/Chemical-Structure.8117228.html (accessed 14:01, May 25, 2024)