3beta-3-Lupanol

Properties Image MNX_ID MNXM117667 reference hmdb:HMDB0040770 formula C30H52O global charge 0 mol weight 428.745 InChIKey UBLNLUPLUKPSPP-UHFFFAOYSA-N InChI InChI=1S/C30H52O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h19-25,31H,9-18H2,1-8H3 SMILES CC(C)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12 MNX internals InChI (mnx) InChI=1/C30H52O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h19-25,31H,9-18H2,1-8H3/t20?,21?,22?,23?,24?,25?,27?,28?,29?,30? SMILES (mnx) [CH3:1][CH:19]([CH3:2])[CH:20]1[CH2:11][CH2:14][C:27]2([CH3:5])[CH2:17][CH2:18][C:29]3([CH3:7])[CH:21]([CH2:9][CH2:10][CH:23]4[C:28]5([CH3:6])[CH2:15][CH2:13][CH:24]([OH:31])[C:26]([CH3:3])([CH3:4])[CH:22]5[CH2:12][CH2:16][C:30]43[CH3:8])[CH:25]12

Parent-child relations graph

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