14-acetoxy-15-hydroxyirpexan (CHEBI:210806)

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CHEBI:210806 - 14-acetoxy-15-hydroxyirpexan

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ChEBI ID	CHEBI:210806
ChEBI Name	14-acetoxy-15-hydroxyirpexan
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C38H66O10
Net Charge	0
Average Mass	682.936
Monoisotopic Mass	682.46560
SMILES	CC(=O)OC(CCC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(C)(O)CC/C=C(\C)CCC=C(C)C)C(C)(O)CC/C=C(\C)CCC=C(C)C
InChI	InChI=1S/C38H66O10/c1-25(2)14-10-16-27(5)18-12-22-37(8,44)31(46-29(7)40)20-21-32(48-36-35(43)34(42)33(41)30(24-39)47-36)38(9,45)23-13-19-28(6)17-11-15-26(3)4/h14-15,18-19,30-36,39,41-45H,10-13,16-17,20-24H2,1-9H3/b27-18+,28-19+/t30-,31?,32?,33-,34+,35+,36+,37?,38?/m1/s1
InChIKey	IULXNECTRWHKDM-FHSNOABGSA-N

Species of Metabolite	Component	Source	Comments
Irpex (ncbitaxon:5318)	-	PubMed (11132959)

ChEBI Ontology

Outgoing Relation(s)
	14-acetoxy-15-hydroxyirpexan (CHEBI:210806) is a triterpenoid (CHEBI:36615)

IUPAC Name
[(6E,18E)-10,15-dihydroxy-2,6,10,15,19,23-hexamethyl-14-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosa-2,6,18,22-tetraen-11-yl] acetate

Manual Xrefs	Databases
8570261	ChemSpider