17beta-Hydroxy-2-methylandrost-1,4-dien-3-one

Properties Image MNX_ID MNXM33684 reference chebi:79450 formula C20H28O2 global charge 0 mol weight 300.442 InChIKey KRLNSPRYFLSTPO-GJCUDGATSA-N InChI InChI=1S/C20H28O2/c1-12-11-20(3)13(10-17(12)21)4-5-14-15-6-7-18(22)19(15,2)9-8-16(14)20/h10-11,14-16,18,22H,4-9H2,1-3H3/t14-,15-,16-,18-,19-,20-/m0/s1 SMILES CC1=C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]12 MNX internals InChI (mnx) InChI=1/C20H28O2/c1-12-11-20(3)13(10-17(12)21)4-5-14-15-6-7-18(22)19(15,2)9-8-16(14)20/h10-11,14-16,18,22H,4-9H2,1-3H3/t14-,15-,16-,18-,19-,20-/m0/s1 SMILES (mnx) [CH3:1][C:12]1=[CH:11][C@@:20]2([CH3:3])[C:13](=[CH:10][C:17]1=[O:21])[CH2:4][CH2:5][C@H:14]1[C@@H:15]3[CH2:6][CH2:7][C@H:18]([OH:22])[C@@:19]3([CH3:2])[CH2:9][CH2:8][C@@H:16]12

Parent-child relations graph

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