Stenocereol (CHEBI:175327)

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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	Stenocereol

ChEBI ID	CHEBI:175327

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C28H46O2

Net Charge

Average Mass

414.674

Monoisotopic Mass

414.34978

InChI

InChI=1S/C28H46O2/c1-18(2)8-7-9-19(3)21-11-14-28(6)23-17-25(30)24-16-20(29)10-13-26(24,4)22(23)12-15-27(21,28)5/h8,19-21,24-25,29-30H,7,9-17H2,1-6H3

InChIKey

BHMYRYNHHQYGTN-UHFFFAOYSA-N

SMILES

OC1C2C(C3=C(C4(C(C(CC4)C(CCC=C(C)C)C)(CC3)C)C)C1)(CCC(O)C2)C

ChEBI Ontology
Outgoing	Stenocereol (CHEBI:175327) is a cholestanoid (CHEBI:50401)

IUPAC Name

10,13,14-trimethyl-17-(6-methylhept-5-en-2-yl)-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,6-diol