17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one

Properties Image MNX_ID MNXM33692 reference chebi:79502 formula C21H34O3 global charge 0 mol weight 334.5 InChIKey TXOICHCTMJMZFA-NSFMUAGPSA-N InChI InChI=1S/C21H34O3/c1-20-9-8-17-15(16(20)6-7-19(20)23)5-4-14-10-18(22)13(12-24-3)11-21(14,17)2/h13-17,19,23H,4-12H2,1-3H3/t13-,14-,15-,16-,17-,19-,20-,21-/m0/s1 SMILES COC[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]32)CC1=O MNX internals InChI (mnx) InChI=1/C21H34O3/c1-20-9-8-17-15(16(20)6-7-19(20)23)5-4-14-10-18(22)13(12-24-3)11-21(14,17)2/h13-17,19,23H,4-12H2,1-3H3/t13-,14-,15-,16-,17-,19-,20-,21-/m0/s1 SMILES (mnx) [CH3:1][C@:20]12[CH2:9][CH2:8][C@H:17]3[C@@H:15]([CH2:5][CH2:4][C@H:14]4[CH2:10][C:18](=[O:22])[C@H:13]([CH2:12][O:24][CH3:3])[CH2:11][C@@:21]43[CH3:2])[C@@H:16]1[CH2:6][CH2:7][C@@H:19]2[OH:23]

Parent-child relations graph

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