11beta,17alpha,20alpha,21-Tetrahydroxy-4-pregnene-3-one

Properties Image MNX_ID MNXM165521 reference sabiorkM:25754 formula C21H32O5 global charge 0 mol weight 364.482 InChIKey AWWCEQOCFFQUKS-DPDBKTHMSA-N InChI InChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-18,22,24-26H,3-8,10-11H2,1-2H3/t14-,15-,16-,17?,18+,19-,20-,21-/m0/s1 SMILES C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(O)CO MNX internals InChI (mnx) InChI=1/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-18,22,24-26H,3-8,10-11H2,1-2H3/t14-,15-,16-,17?,18+,19-,20-,21-/m0/s1 SMILES (mnx) [CH3:1][C@:19]12[CH2:7][CH2:5][C:13](=[O:23])[CH:9]=[C:12]1[CH2:3][CH2:4][C@H:14]1[C@@H:15]3[CH2:6][CH2:8][C@@:21]([CH:17]([CH2:11][OH:22])[OH:25])([OH:26])[C@@:20]3([CH3:2])[CH2:10][C@H:16]([OH:24])[C@@H:18]12

Parent-child relations graph

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