ent-16b,19-Kauranediol 19-acetate (CHEBI:171876)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	ent-16b,19-Kauranediol 19-acetate

ChEBI ID	CHEBI:171876

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C22H36O3

Net Charge

Average Mass

348.527

Monoisotopic Mass

348.26645

InChI

InChI=1S/C22H36O3/c1-15(23)25-14-19(2)9-5-10-20(3)17(19)8-11-22-12-16(6-7-18(20)22)21(4,24)13-22/h16-18,24H,5-14H2,1-4H3

InChIKey

AELNFENJKQXLPW-UHFFFAOYSA-N

SMILES

OC1(C2CC3(C(C4(C(CC3)C(CCC4)(COC(=O)C)C)C)CC2)C1)C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study

ChEBI Ontology
Outgoing	ent-16b,19-Kauranediol 19-acetate (CHEBI:171876) is a kaurane diterpenoid (CHEBI:53666)

IUPAC Name

(14-hydroxy-5,9,14-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)methyl acetate