Eburicodiol (CHEBI:207595)

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CHEBI:207595 - Eburicodiol

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ChEBI ID	CHEBI:207595
ChEBI Name	Eburicodiol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C31H52O2
Net Charge	0
Average Mass	456.755
Monoisotopic Mass	456.39673
SMILES	C=C(CC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C
InChI	InChI=1S/C31H52O2/c1-20(2)21(3)9-10-22(19-32)23-13-17-31(8)25-11-12-26-28(4,5)27(33)15-16-29(26,6)24(25)14-18-30(23,31)7/h20,22-23,26-27,32-33H,3,9-19H2,1-2,4-8H3/t22-,23+,26-,27-,29+,30+,31-/m0/s1
InChIKey	GDLCVKONYVOCKC-ITKMBEFXSA-N

Species of Metabolite	Component	Source	Comments
Gloeophyllum odoratum (ncbitaxon:139427)	-	PubMed (30130818)

ChEBI Ontology

Outgoing Relation(s)
	Eburicodiol (CHEBI:207595) is a triterpenoid (CHEBI:36615)

IUPAC Name
(3S,5R,10S,13R,14R,17R)-17-[(2R)-1-hydroxy-6-methyl-5-methylideneheptan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

Manual Xrefs	Databases
26336035	ChemSpider