7alpha,17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one

Properties Image MNX_ID MNXM39198 reference chebi:79418 formula C20H30O3 global charge 0 mol weight 318.457 InChIKey HBNWWAPEFHXKKT-QMNUTNMBSA-N InChI InChI=1S/C20H30O3/c1-18-7-4-13(21)10-12(18)11-16(22)17-14(18)5-8-19(2)15(17)6-9-20(19,3)23/h10,14-17,22-23H,4-9,11H2,1-3H3/t14-,15-,16+,17+,18-,19-,20-/m0/s1 SMILES C[C@]12CCC(=O)C=C1C[C@@H](O)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O MNX internals InChI (mnx) InChI=1/C20H30O3/c1-18-7-4-13(21)10-12(18)11-16(22)17-14(18)5-8-19(2)15(17)6-9-20(19,3)23/h10,14-17,22-23H,4-9,11H2,1-3H3/t14-,15-,16+,17+,18-,19-,20-/m0/s1 SMILES (mnx) [CH3:1][C@:18]12[CH2:7][CH2:4][C:13](=[O:21])[CH:10]=[C:12]1[CH2:11][C@@H:16]([OH:22])[C@@H:17]1[C@@H:14]2[CH2:5][CH2:8][C@@:19]2([CH3:2])[C@H:15]1[CH2:6][CH2:9][C@:20]2([CH3:3])[OH:23]

Parent-child relations graph

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