Ergost-7-en-3beta-ol (CHEBI:203383)

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CHEBI:203383 - Ergost-7-en-3beta-ol

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ChEBI ID	CHEBI:203383
ChEBI Name	Ergost-7-en-3beta-ol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H48O
Net Charge	0
Average Mass	400.691
Monoisotopic Mass	400.37052
SMILES	CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=CCC4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI	InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18-22,24-26,29H,7-9,11-17H2,1-6H3/t19-,20+,21?,22-,24+,25-,26-,27-,28+/m0/s1
InChIKey	PUGBZUWUTZUUCP-BJVOIFBFSA-N

Species of Metabolite	Component	Source	Comments
Sparassis crispa (ncbitaxon:139825)	-	DOI (10.1039/p19720000513)

ChEBI Ontology

Outgoing Relation(s)
	Ergost-7-en-3beta-ol (CHEBI:203383) is a ergostanoid (CHEBI:50403)

IUPAC Name
(3S,9R,10S,13R,14R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Manual Xrefs	Databases
19972299	ChemSpider