(22E,24R)-ergosta-7,22-diene-6beta-methoxy-3beta,5alpha-diol (CHEBI:70337)

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CHEBI:70337 - (22E,24R)-ergosta-7,22-diene-6β-methoxy-3β,5α-diol

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ChEBI ID	CHEBI:70337
ChEBI Name	(22E,24R)-ergosta-7,22-diene-6β-methoxy-3β,5α-diol
Stars
ASCII Name	(22E,24R)-ergosta-7,22-diene-6beta-methoxy-3beta,5alpha-diol
Definition	An ergostanoid that is (22E)-ergosta-7,22-diene substituted by hydroxy groups at positions 3 and 5 and a methoxy group at position 6 (the 3β,5α,6β stereoisomer). It has been isolated from Aspergillus ochraceus.
Last Modified	6 April 2021
Downloads	Molfile

Formula	C29H48O3
Net Charge	0
Average Mass	444.700
Monoisotopic Mass	444.36035
SMILES	[H][C@@]12CC[C@]([H])([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]1(C)CC[C@@]1([H])C2=C[C@@H](OC)[C@@]2(O)C[C@@H](O)CC[C@]12C
InChI	InChI=1S/C29H48O3/c1-18(2)19(3)8-9-20(4)23-10-11-24-22-16-26(32-7)29(31)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h8-9,16,18-21,23-26,30-31H,10-15,17H2,1-7H3/b9-8+/t19-,20+,21-,23+,24-,25-,26+,27+,28+,29-/m0/s1
InChIKey	GQVCGTRDXSDAHC-KNXFMRPFSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus ochraceus (ncbitaxon:40380)	mycelium (BTO:0001436)	PubMed (21043476)	MeOH(mycelia) & EtOAc(broth) extract of an endophytic fungus isolated from Sargassum kjellmanianum Strain: EN 31

Roles Classification

Biological Role:

Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .

ChEBI Ontology

Outgoing Relation(s)
	(22E,24R)-ergosta-7,22-diene-6β-methoxy-3β,5α-diol (CHEBI:70337) has functional parent cerevisterol (CHEBI:68083)
	(22E,24R)-ergosta-7,22-diene-6β-methoxy-3β,5α-diol (CHEBI:70337) has role Aspergillus metabolite (CHEBI:76956)
	(22E,24R)-ergosta-7,22-diene-6β-methoxy-3β,5α-diol (CHEBI:70337) is a 3β-hydroxy steroid (CHEBI:36836)
	(22E,24R)-ergosta-7,22-diene-6β-methoxy-3β,5α-diol (CHEBI:70337) is a 5α-hydroxy steroid (CHEBI:38194)
	(22E,24R)-ergosta-7,22-diene-6β-methoxy-3β,5α-diol (CHEBI:70337) is a ergostanoid (CHEBI:50403)
	(22E,24R)-ergosta-7,22-diene-6β-methoxy-3β,5α-diol (CHEBI:70337) is a ether (CHEBI:25698)

IUPAC Name
(3β,5α,6β,22E)-6-methoxyergosta-7,22-diene-3,5-diol

Synonyms	Source
6-O-methylcerevisterol	ChEBI
6-methoxycerevisterol	ChEBI

Registry Numbers	Sources
Reaxys:23447396	Reaxys

Citations