(8S,9S,10R,11S,13S,14R,17S)-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Properties Image MNX_ID MNXM173915 reference chebi:94566 formula C21H30O4 global charge 0 mol weight 346.467 InChIKey OMFXVFTZEKFJBZ-RELAMMAJSA-N InChI InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15+,16+,17-,19+,20-,21-/m0/s1 SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2C(=O)CO MNX internals InChI (mnx) InChI=1/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15+,16+,17-,19+,20-,21-/m0/s1 SMILES (mnx) [CH3:1][C@:20]12[CH2:8][CH2:7][C:13](=[O:23])[CH:9]=[C:12]1[CH2:3][CH2:4][C@H:14]1[C@H:15]3[CH2:5][CH2:6][C@H:16]([C:18]([CH2:11][OH:22])=[O:25])[C@@:21]3([CH3:2])[CH2:10][C@H:17]([OH:24])[C@@H:19]12

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0