16-Butyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol

Properties Image MNX_ID MNXM33513 reference chebi:79456 formula C23H34O3 global charge 0 mol weight 358.522 InChIKey YGVYDWADHKYSHH-PZORDLPLSA-N InChI InChI=1S/C23H34O3/c1-4-5-11-23(25)14-20-19-8-6-15-13-16(26-3)7-9-17(15)18(19)10-12-22(20,2)21(23)24/h7,9,13,18-21,24-25H,4-6,8,10-12,14H2,1-3H3/t18-,19-,20+,21-,22+,23+/m1/s1 SMILES CCCC[C@]1(O)C[C@H]2[C@@H]3CCC4=C(C=CC(OC)=C4)[C@H]3CC[C@]2(C)[C@H]1O MNX internals InChI (mnx) InChI=1/C23H34O3/c1-4-5-11-23(25)14-20-19-8-6-15-13-16(26-3)7-9-17(15)18(19)10-12-22(20,2)21(23)24/h7,9,13,18-21,24-25H,4-6,8,10-12,14H2,1-3H3/t18-,19-,20+,21-,22+,23+/m1/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:5][CH2:11][C@:23]1([OH:25])[CH2:14][C@H:20]2[C@@H:19]3[CH2:8][CH2:6][C:15]4=[CH:13][C:16]([O:26][CH3:3])=[CH:7][CH:9]=[C:17]4[C@H:18]3[CH2:10][CH2:12][C@:22]2([CH3:2])[C@H:21]1[OH:24]

Parent-child relations graph

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