(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one

Properties Image MNX_ID MNXM172379 reference chebi:125442 formula C27H44O2 global charge 0 mol weight 400.647 InChIKey YIKKMWSQVKJCOP-GILBNLLESA-N InChI InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18?,20-,21+,22-,23-,25-,26-,27+/m0/s1 SMILES CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C MNX internals InChI (mnx) InChI=1/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18?,20-,21+,22-,23-,25-,26-,27+/m0/s1 SMILES (mnx) [CH3:1][CH:17]([CH3:2])[CH2:7][CH2:6][CH2:8][CH:18]([CH3:3])[C@H:21]1[CH2:9][CH2:10][C@H:22]2[C@H:25]3[C@H:23]([CH2:12][CH2:14][C@:27]12[CH3:5])[C@@:26]1([CH3:4])[CH2:13][CH2:11][C@H:20]([OH:28])[CH2:15][C:19]1=[CH:16][C:24]3=[O:29]

Parent-child relations graph

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