Sterenoid A (CHEBI:226501)

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CHEBI:226501 - Sterenoid A

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ChEBI ID	CHEBI:226501
ChEBI Name	Sterenoid A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H46O3
Net Charge	0
Average Mass	454.695
Monoisotopic Mass	454.34470
SMILES	CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)[C@H]2[C@]1(C)O)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3
InChI	InChI=1S/C30H46O3/c1-18(2)10-9-11-19(3)20-14-16-28(6)21-12-13-22-27(4,5)23(31)15-17-29(22,7)24(21)25(32)26(28)30(20,8)33/h10,19-20,22,26,33H,9,11-17H2,1-8H3/t19-,20-,22+,26-,28+,29+,30-/m1/s1
InChIKey	NGHPOLNAZWJUCF-DZWRHIOPSA-N

Species of Metabolite	Component	Source	Comments
Stereumspecies (ncbitaxon:1849817)	-	PubMed (29066792)

ChEBI Ontology

Outgoing Relation(s)
	Sterenoid A (CHEBI:226501) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
(4aR,6bR,9R,10R,10aR,11bS)-10-hydroxy-4,4,6b,10,11b-pentamethyl-9-[(2R)-6-methylhept-5-en-2-yl]-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[a]luorene-3,11-dione

Manual Xrefs	Databases
78441586	ChemSpider