17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-(hydrogensuccinate)

Properties Image MNX_ID MNXM33587 reference chebi:79929 formula C25H32O8 global charge 0 mol weight 460.523 InChIKey WVSVAJGDZIWYBX-WFLBVZAHSA-N InChI InChI=1S/C25H32O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-17,22,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,22+,23-,24-,25-/m0/s1 SMILES C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O MNX internals InChI (mnx) InChI=1/C25H32O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-17,22,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,22+,23-,24-,25-/m0/s1 SMILES (mnx) [CH3:1][C@:23]12[CH2:9][CH2:7][C:15](=[O:26])[CH:11]=[C:14]1[CH2:3][CH2:4][C@H:16]1[C@@H:17]3[CH2:8][CH2:10][C@@:25]([C:19]([CH2:13][O:33][C:21]([CH2:6][CH2:5][C:20](=[O:29])[OH:30])=[O:31])=[O:28])([OH:32])[C@@:24]3([CH3:2])[CH2:12][C:18](=[O:27])[C@@H:22]12

Parent-child relations graph

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