6alpha-Hydroxyprogesterone

Properties Image MNX_ID MNXM166649 reference sabiorkM:26469 formula C21H30O3 global charge 0 mol weight 330.468 InChIKey PWCLWZOSAFOXFL-ADDDSGAWSA-N InChI InChI=1S/C21H30O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h10,14-17,19,24H,4-9,11H2,1-3H3/t14-,15+,16-,17-,19-,20+,21+/m0/s1 SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C MNX internals InChI (mnx) InChI=1/C21H30O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h10,14-17,19,24H,4-9,11H2,1-3H3/t14-,15+,16-,17-,19-,20+,21+/m0/s1 SMILES (mnx) [CH3:1][C:12]([C@H:15]1[CH2:4][CH2:5][C@H:16]2[C@@H:14]3[CH2:11][C@H:19]([OH:24])[C:18]4=[CH:10][C:13](=[O:23])[CH2:6][CH2:8][C@:21]4([CH3:3])[C@H:17]3[CH2:7][CH2:9][C@:20]12[CH3:2])=[O:22]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0