17-Propylestra-1,3,5(10)-triene-3,17beta-diol diacetate

Properties Image MNX_ID MNXM33635 reference chebi:79471 formula C25H34O4 global charge 0 mol weight 398.543 InChIKey LQDKHUPZQHCHDD-VAFBSOEGSA-N InChI InChI=1S/C25H34O4/c1-5-12-25(29-17(3)27)14-11-23-22-8-6-18-15-19(28-16(2)26)7-9-20(18)21(22)10-13-24(23,25)4/h7,9,15,21-23H,5-6,8,10-14H2,1-4H3/t21-,22-,23+,24+,25+/m1/s1 SMILES CCC[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C(C=CC(OC(C)=O)=C4)[C@H]3CC[C@@]21C MNX internals InChI (mnx) InChI=1/C25H34O4/c1-5-12-25(29-17(3)27)14-11-23-22-8-6-18-15-19(28-16(2)26)7-9-20(18)21(22)10-13-24(23,25)4/h7,9,15,21-23H,5-6,8,10-14H2,1-4H3/t21-,22-,23+,24+,25+/m1/s1 SMILES (mnx) [CH3:1][CH2:5][CH2:12][C@:25]1([O:29][C:17]([CH3:3])=[O:27])[CH2:14][CH2:11][C@H:23]2[C@@H:22]3[CH2:8][CH2:6][C:18]4=[CH:15][C:19]([O:28][C:16]([CH3:2])=[O:26])=[CH:7][CH:9]=[C:20]4[C@H:21]3[CH2:10][CH2:13][C@@:24]21[CH3:4]

Parent-child relations graph

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