Condurangogenin C

Properties Image MNX_ID MNXM47577 reference chebi:190265 formula C32H44O7 global charge 0 mol weight 540.697 InChIKey NUPFZNSJJIZBGR-DSXGPZHDSA-N InChI InChI=1S/C32H44O7/c1-19(33)24-15-17-32(37)25-12-11-22-18-23(35)14-16-30(22,3)27(25)28(38-20(2)34)29(31(24,32)4)39-26(36)13-10-21-8-6-5-7-9-21/h5-10,13,19,22-25,27-29,33,35,37H,11-12,14-18H2,1-4H3/b13-10+/t19?,22-,23-,24+,25+,27+,28-,29+,30-,31-,32-/m0/s1 SMILES CC(=O)O[C@H]1[C@H]2[C@@H](CC[C@H]3C[C@@H](O)CC[C@@]32C)[C@@]2(O)CC[C@H](C(C)O)[C@@]2(C)[C@@H]1OC(=O)/C=C/C1=CC=CC=C1 MNX internals InChI (mnx) InChI=1/C32H44O7/c1-19(33)24-15-17-32(37)25-12-11-22-18-23(35)14-16-30(22,3)27(25)28(38-20(2)34)29(31(24,32)4)39-26(36)13-10-21-8-6-5-7-9-21/h5-10,13,19,22-25,27-29,33,35,37H,11-12,14-18H2,1-4H3/b13-10+/t19?,22-,23-,24+,25+,27+,28-,29+,30-,31-,32-/m0/s1 SMILES (mnx) [CH3:1][CH:19]([C@H:24]1[CH2:15][CH2:17][C@:32]2([OH:37])[C@@H:25]3[CH2:12][CH2:11][C@H:22]4[CH2:18][C@@H:23]([OH:35])[CH2:14][CH2:16][C@:30]4([CH3:3])[C@H:27]3[C@H:28]([O:38][C:20]([CH3:2])=[O:34])[C@@H:29]([O:39][C:26](/[CH:13]=[CH:10]/[C:21]3=[CH:8][CH:6]=[CH:5][CH:7]=[CH:9]3)=[O:36])[C@:31]12[CH3:4])[OH:33]

Parent-child relations graph

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