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lupan-3beta,20-diol

Properties

Image

Occurences in reactions

MNX_ID

MNXM5814

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

formula

C₃₀H₅₂O₂

charge

mass

444.744

reference

chebi:62735

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

[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

Deprecated MNXref IDs graph

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