6beta,17-Dihydroxy-3,5-cyclo-5alpha,17alpha-pregn-20-ene-21-carboxylic acid, gamma-lactone

Properties Image MNX_ID MNXM38989 reference chebi:79964 formula C22H30O3 global charge 0 mol weight 342.479 InChIKey OUBYDRMNFCCAQT-CNGBPTJQSA-N InChI InChI=1S/C22H30O3/c1-19-8-4-16-14(15(19)5-9-21(19)10-6-18(24)25-21)11-17(23)22-12-13(22)3-7-20(16,22)2/h6,10,13-17,23H,3-5,7-9,11-12H2,1-2H3/t13?,14-,15-,16-,17+,19-,20+,21+,22?/m0/s1 SMILES C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C45CC4CC[C@]35C)[C@@H]1CC[C@@]21C=CC(=O)O1 MNX internals InChI (mnx) InChI=1/C22H30O3/c1-19-8-4-16-14(15(19)5-9-21(19)10-6-18(24)25-21)11-17(23)22-12-13(22)3-7-20(16,22)2/h6,10,13-17,23H,3-5,7-9,11-12H2,1-2H3/t13?,14-,15-,16-,17+,19-,20+,21+,22?/m0/s1 SMILES (mnx) [CH3:1][C@:19]12[CH2:8][CH2:4][C@H:16]3[C@@H:14]([CH2:11][C@@H:17]([OH:23])[C:22]45[CH2:12][CH:13]4[CH2:3][CH2:7][C@:20]35[CH3:2])[C@@H:15]1[CH2:5][CH2:9][C@@:21]21[CH:10]=[CH:6][C:18](=[O:24])[O:25]1

Parent-child relations graph

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