Androst-4-ene-3alpha,17beta-diol

Properties Image MNX_ID MNXM163746 reference sabiorkM:27263 formula C19H30O2 global charge 0 mol weight 290.447 InChIKey BTTWKVFKBPAFDK-KYQPOWKGSA-N InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,13-17,20-21H,3-10H2,1-2H3/t13-,14+,15+,16+,17+,18+,19+/m1/s1 SMILES C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O MNX internals InChI (mnx) InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,13-17,20-21H,3-10H2,1-2H3/t13-,14+,15+,16+,17+,18+,19+/m1/s1 SMILES (mnx) [CH3:1][C@:18]12[CH2:9][CH2:7][C@@H:13]([OH:20])[CH:11]=[C:12]1[CH2:3][CH2:4][C@H:14]1[C@@H:15]3[CH2:5][CH2:6][C@H:17]([OH:21])[C@@:19]3([CH3:2])[CH2:10][CH2:8][C@@H:16]12

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0