16beta-Chloro-17beta-hydroxyandrost-4-en-3-one

Properties Image MNX_ID MNXM33572 reference chebi:79527 formula C19H27ClO2 global charge 0 mol weight 322.876 InChIKey HSXDXEKWMMAMHT-KYQPOWKGSA-N InChI InChI=1S/C19H27ClO2/c1-18-7-5-12(21)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)22/h9,13-17,22H,3-8,10H2,1-2H3/t13-,14+,15+,16+,17+,18+,19+/m1/s1 SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@H](Cl)[C@@H]2O MNX internals InChI (mnx) InChI=1/C19H27ClO2/c1-18-7-5-12(21)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)22/h9,13-17,22H,3-8,10H2,1-2H3/t13-,14+,15+,16+,17+,18+,19+/m1/s1 SMILES (mnx) [CH3:1][C@:18]12[CH2:7][CH2:5][C:12](=[O:21])[CH:9]=[C:11]1[CH2:3][CH2:4][C@@H:13]1[C@@H:14]2[CH2:6][CH2:8][C@@:19]2([CH3:2])[C@H:15]1[CH2:10][C@H:16]([Cl:20])[C@@H:17]2[OH:22]

Parent-child relations graph

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