**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

lupan-3beta,20-diol

Properties Image MNX_ID MNXM5814 reference chebi:62735 formula C30H52O2 global charge 0 mol weight 444.744 InChIKey YDNYDUBBAZTLTQ-LIVJDELJSA-N InChI InChI=1S/C30H52O2/c1-25(2)21-12-16-30(8)22(28(21,6)15-13-23(25)31)10-9-20-24-19(26(3,4)32)11-14-27(24,5)17-18-29(20,30)7/h19-24,31-32H,9-18H2,1-8H3/t19-,20-,21+,22-,23+,24-,27-,28+,29-,30-/m1/s1 SMILES CC(C)(O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 MNX internals InChI (mnx) InChI=1/C30H52O2/c1-25(2)21-12-16-30(8)22(28(21,6)15-13-23(25)31)10-9-20-24-19(26(3,4)32)11-14-27(24,5)17-18-29(20,30)7/h19-24,31-32H,9-18H2,1-8H3/t19-,20-,21+,22-,23+,24-,27-,28+,29-,30-/m1/s1 SMILES (mnx) [C@:1]12([CH3:23])[C@@:2]3([CH3:24])[C@@H:5]([C@:3]4([CH3:25])[C@@H:6]([C:8]([CH3:28])([CH3:29])[CH:19]([CH3:26])[CH2:22][CH2:14]4)[CH2:16][CH2:11]3)[CH2:15][CH2:13][C@@H:4]1[C@H:7]1[C@H:9]([C:17]([CH3:27])([OH:31])[OH:32])[CH2:18][CH2:21][C@:10]1([CH3:30])[CH2:20][CH2:12]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 1

Similar chemical compounds in external resources

Identifier	Description
CHEBI:62735 chebi:62735 YDNYDUBBAZTLTQ-LIVJDELJSA-N	lupan-3beta,20-diol (3beta)-lupane-3,20-diol 3beta,20-dihydroxylupane
seed.compound:cpd21104 seedM:cpd21104 YDNYDUBBAZTLTQ-LIVJDELJSA-N	Lupan-3beta,20-diol 3,20-dihydroxylupane 3beta,20-Dihydroxylupane Monogynol A lupan-3beta,20-diol
kegg.compound:C19863 keggC:C19863 YDNYDUBBAZTLTQ-LIVJDELJSA-N	Lupan-3beta,20-diol 3beta,20-Dihydroxylupane Monogynol A
metacyc.compound:CPD-6951 metacycM:CPD-6951 YDNYDUBBAZTLTQ-LIVJDELJSA-N	lupan-3beta,20-diol 3,20-dihydroxylupane
keggC:M_C19863 seedM:M_cpd21104	secondary/obsolete/fantasy identifier