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

Properties Image MNX_ID MNXM33691 reference chebi:79444 formula C22H36O3 global charge 0 mol weight 348.527 InChIKey WACMAERIMWMBMZ-BOQKZASQSA-N InChI InChI=1S/C22H36O3/c1-20-12-14(13-25-4)19(23)11-15(20)5-6-16-17(20)7-9-21(2)18(16)8-10-22(21,3)24/h14-18,24H,5-13H2,1-4H3/t14-,15-,16+,17-,18-,20-,21-,22-/m0/s1 SMILES COC[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]2(C)O)CC1=O MNX internals InChI (mnx) InChI=1/C22H36O3/c1-20-12-14(13-25-4)19(23)11-15(20)5-6-16-17(20)7-9-21(2)18(16)8-10-22(21,3)24/h14-18,24H,5-13H2,1-4H3/t14-,15-,16+,17-,18-,20-,21-,22-/m0/s1 SMILES (mnx) [CH3:1][C@:20]12[CH2:12][C@@H:14]([CH2:13][O:25][CH3:4])[C:19](=[O:23])[CH2:11][C@@H:15]1[CH2:5][CH2:6][C@@H:16]1[C@@H:17]2[CH2:7][CH2:9][C@@:21]2([CH3:2])[C@H:18]1[CH2:8][CH2:10][C@:22]2([CH3:3])[OH:24]

Parent-child relations graph

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