17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde

Properties Image MNX_ID MNXM33708 reference chebi:79540 formula C20H30O2 global charge 0 mol weight 302.458 InChIKey QKKCZNAIRYQRKP-WDCLZLQXSA-N InChI InChI=1S/C20H30O2/c1-19-10-9-17-15(16(19)7-8-18(19)22)6-5-14-4-3-13(12-21)11-20(14,17)2/h3,12,14-18,22H,4-11H2,1-2H3/t14-,15+,16+,17+,18+,19+,20+/m1/s1 SMILES C[C@]12CC(C=O)=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 MNX internals InChI (mnx) InChI=1/C20H30O2/c1-19-10-9-17-15(16(19)7-8-18(19)22)6-5-14-4-3-13(12-21)11-20(14,17)2/h3,12,14-18,22H,4-11H2,1-2H3/t14-,15+,16+,17+,18+,19+,20+/m1/s1 SMILES (mnx) [CH3:1][C@:19]12[CH2:10][CH2:9][C@H:17]3[C@@H:15]([CH2:6][CH2:5][C@H:14]4[CH2:4][CH:3]=[C:13]([CH:12]=[O:21])[CH2:11][C@@:20]43[CH3:2])[C@@H:16]1[CH2:7][CH2:8][C@@H:18]2[OH:22]

Parent-child relations graph

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