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) [CH3:1][C:25]1([CH3:2])[C@@H:21]2[CH2:12][CH2:16][C@:30]3([CH3:8])[C@H:22]([CH2:10][CH2:9][C@@H:20]4[C@H:24]5[C@H:19]([C:26]([CH3:3])([CH3:4])[OH:32])[CH2:11][CH2:14][C@:27]5([CH3:5])[CH2:17][CH2:18][C@:29]43[CH3:7])[C@@:28]2([CH3:6])[CH2:15][CH2:13][C@@H:23]1[OH:31]

Parent-child relations graph

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