Sandosapogenol

Properties Image MNX_ID MNXM130474 reference chebi:183535 formula C30H48O3 global charge 0 mol weight 456.711 InChIKey FAIBWMGLHJMWQD-UHFFFAOYSA-N InChI InChI=1S/C30H48O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,18,20-24,32-33H,9-17H2,1-7H3 SMILES CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1 MNX internals InChI (mnx) InChI=1/C30H48O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,18,20-24,32-33H,9-17H2,1-7H3/t20?,21?,22?,23?,24?,26?,27?,28?,29?,30? SMILES (mnx) [CH3:1][C:25]1([CH3:2])[CH2:16][CH:20]2[C:19]3=[CH:8][CH2:9][CH:22]4[C:27]5([CH3:4])[CH2:12][CH2:11][CH:23]([OH:32])[C:28]([CH3:5])([CH:18]=[O:31])[CH:21]5[CH2:10][CH2:13][C:30]4([CH3:7])[C:29]3([CH3:6])[CH2:15][CH2:14][C:26]2([CH3:3])[CH:24]([OH:33])[CH2:17]1

Parent-child relations graph

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