Gymnasterol (CHEBI:199386)

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CHEBI:199386 - Gymnasterol

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ChEBI ID	CHEBI:199386
ChEBI Name	Gymnasterol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H42O3
Net Charge	0
Average Mass	426.641
Monoisotopic Mass	426.31340
SMILES	CC(C)C(C)/C=C/C(C)[C@H]1C[C@H]2O[C@]23C2=C[C@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]2CC[C@]13C
InChI	InChI=1S/C28H42O3/c1-16(2)17(3)7-8-18(4)21-15-25-28(31-25)22-14-24(30)23-13-19(29)9-11-26(23,5)20(22)10-12-27(21,28)6/h7-8,13-14,16-21,24-25,29-30H,9-12,15H2,1-6H3/b8-7+/t17?,18?,19-,20-,21+,24-,25+,26+,27+,28+/m0/s1
InChIKey	ZWJJZSZLOBLNHB-HDXFCNIQSA-N

Species of Metabolite	Component	Source	Comments
Gymnascella dankaliensis (ncbitaxon:166389)	-	DOI (10.1016/s0040-4039(02)02819-8)

ChEBI Ontology

Outgoing Relation(s)
	Gymnasterol (CHEBI:199386) is a ergostanoid (CHEBI:50403)

IUPAC Name
(2R,4R,6R,7R,10R,11R,14S,17S)-6-[(E)-5,6-dimethylhept-3-en-2-yl]-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-1(18),15-diene-14,17-diol

Manual Xrefs	Databases
78436496	ChemSpider