stigmast-5-ene-3beta,7alpha-diol (CHEBI:67594)

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CHEBI:67594 - stigmast-5-ene-3β,7α-diol

ChEBI ID	CHEBI:67594
ChEBI Name	stigmast-5-ene-3β,7α-diol
Stars
ASCII Name	stigmast-5-ene-3beta,7alpha-diol
Definition	A 3β-hydroxy steroid that is sitosterol substituted by an additional α-hydroxy group at position 7. It has been isolated from the roots of Breynia fruticosa.
Last Modified	25 April 2017
Downloads	Molfile

Formula	C29H50O2
Net Charge	0
Average Mass	430.717
Monoisotopic Mass	430.38108
SMILES	[H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CC[C@@H](CC)C(C)C)[C@]1([H])[C@H](O)C=C1C[C@@H](O)CC[C@@]12C
InChI	InChI=1S/C29H50O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-27,30-31H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,26-,27+,28+,29-/m1/s1
InChIKey	SXJVFYZNUGGHRG-GDDJFQTCSA-N

Species of Metabolite	Component	Source	Comments
Breynia fruticosa (ncbitaxon:296042)	root (BTO:0001188)	PubMed (21428418)	90% Methanolic extract of air-dried, crushed roots.
Melia toosendan (ncbitaxon:71608)	fruit (BTO:0000486)	PubMed (20961091)	95% ethanolic extract of dried fruits

Roles Classification

Biological Roles:

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

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology

Outgoing Relation(s)
	stigmast-5-ene-3β,7α-diol (CHEBI:67594) has functional parent sitosterol (CHEBI:27693)
	stigmast-5-ene-3β,7α-diol (CHEBI:67594) has parent hydride stigmastane (CHEBI:26773)
	stigmast-5-ene-3β,7α-diol (CHEBI:67594) has role metabolite (CHEBI:25212)
	stigmast-5-ene-3β,7α-diol (CHEBI:67594) has role plant metabolite (CHEBI:76924)
	stigmast-5-ene-3β,7α-diol (CHEBI:67594) is a 3β-hydroxy-Δ⁵-steroid (CHEBI:1722)
	stigmast-5-ene-3β,7α-diol (CHEBI:67594) is a 7α-hydroxy steroid (CHEBI:36843)

IUPAC Name
(3β,7α)-stigmast-5-ene-3,7-diol

Synonym	Source
Hydroxysitosterol	ChemIDplus

Registry Numbers	Sources
Reaxys:7001765	Reaxys
CAS:34427-61-7	ChemIDplus

Citations