16beta-Hydroxystellatogenin

Properties Image MNX_ID MNXM116193 reference chebi:191973 formula C30H48O5 global charge 0 mol weight 488.709 InChIKey TUGGKIJIUJBTCO-UHFFFAOYSA-N InChI InChI=1S/C30H48O5/c1-25(2)18-10-13-28(6)19(27(18,5)12-11-20(25)31)9-8-16-22-23(26(3,4)34)17-14-30(22,24(33)35-17)21(32)15-29(16,28)7/h16-23,31-32,34H,8-15H2,1-7H3 SMILES CC(C)(O)C1C2CC3(C(=O)O2)C(O)CC2(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC42C)C13 MNX internals InChI (mnx) InChI=1/C30H48O5/c1-25(2)18-10-13-28(6)19(27(18,5)12-11-20(25)31)9-8-16-22-23(26(3,4)34)17-14-30(22,24(33)35-17)21(32)15-29(16,28)7/h16-23,31-32,34H,8-15H2,1-7H3/t16?,17?,18?,19?,20?,21?,22?,23?,27?,28?,29?,30? SMILES (mnx) [CH3:1][C:25]1([CH3:2])[CH:18]2[CH2:10][CH2:13][C:28]3([CH3:6])[CH:19]([CH2:9][CH2:8][CH:16]4[CH:22]5[CH:23]([C:26]([CH3:3])([CH3:4])[OH:34])[CH:17]6[CH2:14][C:30]5([CH:21]([OH:32])[CH2:15][C:29]43[CH3:7])[C:24](=[O:33])[O:35]6)[C:27]2([CH3:5])[CH2:12][CH2:11][CH:20]1[OH:31]

Parent-child relations graph

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