7-Dehydropregnenolone

Properties Image MNX_ID MNXM735289 reference chebi:174287 formula C21H30O2 global charge 0 mol weight 314.469 InChIKey QTVNPWWLYMFLEI-IOHSXPNESA-N InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,15,17-19,23H,6-12H2,1-3H3/t15-,17?,18?,19?,20-,21+/m0/s1 SMILES CC(=O)C1CCC2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C MNX internals InChI (mnx) InChI=1/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,15,17-19,23H,6-12H2,1-3H3/t15-,17?,18?,19?,20-,21+/m0/s1 SMILES (mnx) [CH3:1][C:13]([CH:17]1[CH2:6][CH2:7][CH:18]2[C:16]3=[CH:5][CH:4]=[C:14]4[CH2:12][C@@H:15]([OH:23])[CH2:8][CH2:10][C@:20]4([CH3:2])[CH:19]3[CH2:9][CH2:11][C@:21]12[CH3:3])=[O:22]

Parent-child relations graph

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