Pregnan-21-ol

Properties Image MNX_ID MNXM2419 reference keggC:C00892 formula C21H36O global charge 0 mol weight 304.518 InChIKey DBMUNIJZUYVPCQ-GCOKGBOCSA-N InChI InChI=1S/C21H36O/c1-20-12-4-3-5-15(20)6-8-17-18-9-7-16(11-14-22)21(18,2)13-10-19(17)20/h15-19,22H,3-14H2,1-2H3/t15-,16+,17-,18-,19-,20-,21+/m0/s1 SMILES C[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](CCO)CC[C@@H]12 MNX internals InChI (mnx) InChI=1/C21H36O/c1-20-12-4-3-5-15(20)6-8-17-18-9-7-16(11-14-22)21(18,2)13-10-19(17)20/h15-19,22H,3-14H2,1-2H3/t15-,16+,17-,18-,19-,20-,21+/m0/s1 SMILES (mnx) [CH3:1][C@:20]12[CH2:12][CH2:4][CH2:3][CH2:5][C@H:15]1[CH2:6][CH2:8][C@H:17]1[C@@H:18]3[CH2:9][CH2:7][C@H:16]([CH2:11][CH2:14][OH:22])[C@@:21]3([CH3:2])[CH2:13][CH2:10][C@@H:19]12

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0