16alpha,17beta-Dihydroxyandrost-4-en-3-one dipropionate

Properties Image MNX_ID MNXM33557 reference chebi:79791 formula C25H36O5 global charge 0 mol weight 416.558 InChIKey CEJCQFWDKRWGSH-ZJASCOGOSA-N InChI InChI=1S/C25H36O5/c1-5-21(27)29-20-14-19-17-8-7-15-13-16(26)9-11-24(15,3)18(17)10-12-25(19,4)23(20)30-22(28)6-2/h13,17-20,23H,5-12,14H2,1-4H3/t17-,18+,19+,20-,23+,24+,25+/m1/s1 SMILES CCC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1OC(=O)CC MNX internals InChI (mnx) InChI=1/C25H36O5/c1-5-21(27)29-20-14-19-17-8-7-15-13-16(26)9-11-24(15,3)18(17)10-12-25(19,4)23(20)30-22(28)6-2/h13,17-20,23H,5-12,14H2,1-4H3/t17-,18+,19+,20-,23+,24+,25+/m1/s1 SMILES (mnx) [CH3:1][CH2:5][C:21](=[O:27])[O:29][C@@H:20]1[CH2:14][C@H:19]2[C@@H:17]3[CH2:8][CH2:7][C:15]4=[CH:13][C:16](=[O:26])[CH2:9][CH2:11][C@:24]4([CH3:3])[C@H:18]3[CH2:10][CH2:12][C@:25]2([CH3:4])[C@H:23]1[O:30][C:22]([CH2:6][CH3:2])=[O:28]

Parent-child relations graph

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