(3beta,5alpha,6alpha)-Cholest-8-ene-3,6-diol (CHEBI:192017)

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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	(3beta,5alpha,6alpha)-Cholest-8-ene-3,6-diol

ChEBI ID	CHEBI:192017

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C27H46O2

Net Charge

Average Mass

402.663

Monoisotopic Mass

402.34978

InChI

InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-19,21-22,24-25,28-29H,6-16H2,1-5H3

InChIKey

MPCLLXXLNXORCU-UHFFFAOYSA-N

SMILES

OC1C2C(C3=C(C4C(C(CC4)C(CCCC(C)C)C)(CC3)C)C1)(CCC(O)C2)C

Metabolite of Species	Details
Populus trichocarpa (NCBI:txid3694)	Found in root (BTO:0001188). See: MetaboLights Study

ChEBI Ontology
Outgoing	(3beta,5alpha,6alpha)-Cholest-8-ene-3,6-diol (CHEBI:192017) is a cholestanoid (CHEBI:50401)

IUPAC Name

10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol