20(29)-lupene-1beta,3alpha-diol (CHEBI:67598)

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CHEBI:67598 - 20(29)-lupene-1β,3α-diol

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ChEBI ID	CHEBI:67598
ChEBI Name	20(29)-lupene-1β,3α-diol
Stars
ASCII Name	20(29)-lupene-1beta,3alpha-diol
Definition	A pentacyclic triterpenoid that is lup-20(29)-ene substituted by hydroxy groups at positions 1 and 3 respectively (the 1β,3α-stereoisomer). It has been isolated from Breynia fruticosa.
Last Modified	1 June 2015
Downloads	Molfile

Formula	C30H50O2
Net Charge	0
Average Mass	442.728
Monoisotopic Mass	442.38108
SMILES	[H][C@]12CC[C@@]3([H])[C@@](C)(CC[C@@]4([H])C(C)(C)[C@H](O)C[C@@H](O)[C@]34C)[C@]1(C)CC[C@@]1(C)CC[C@@H](C(=C)C)[C@@]12[H]
InChI	InChI=1S/C30H50O2/c1-18(2)19-11-13-27(5)15-16-28(6)20(25(19)27)9-10-22-29(28,7)14-12-21-26(3,4)23(31)17-24(32)30(21,22)8/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23+,24+,25+,27+,28+,29+,30-/m0/s1
InChIKey	SWEUJTWPRYKNNX-DZEONHSJSA-N

Species of Metabolite	Component	Source	Comments
Breynia fruticosa (ncbitaxon:296042)	root (BTO:0001188)	PubMed (21428418)	90% Methanolic extract of air-dried, crushed roots.

Roles Classification

Biological Role:

plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology

Outgoing Relation(s)
	20(29)-lupene-1β,3α-diol (CHEBI:67598) has parent hydride lupane (CHEBI:36485)
	20(29)-lupene-1β,3α-diol (CHEBI:67598) has role plant metabolite (CHEBI:76924)
	20(29)-lupene-1β,3α-diol (CHEBI:67598) is a diol (CHEBI:23824)
	20(29)-lupene-1β,3α-diol (CHEBI:67598) is a pentacyclic triterpenoid (CHEBI:25872)

IUPAC Name
lup-20(29)-ene-1β,3α-diol

Synonym	Source
glochidiol	ChEBI

Registry Numbers	Sources
Reaxys:6575511	Reaxys

Citations