15beta-Hydroxytestosterone

Properties Image MNX_ID MNXM165540 reference sabiorkM:21119 formula C19H28O3 global charge 0 mol weight 304.43 InChIKey KYGUQDTWUBBBSD-XJBBOAPUSA-N InChI InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)16(22)10-15(21)17(13)19/h9,13-17,21-22H,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]1[C@H](O)C[C@@H]2O MNX internals InChI (mnx) InChI=1/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)16(22)10-15(21)17(13)19/h9,13-17,21-22H,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:20])[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:16]([OH:22])[CH2:10][C@@H:15]([OH:21])[C@@H:17]12

Parent-child relations graph

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