3-Epimoretenol (CHEBI:175451)

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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	3-Epimoretenol

ChEBI ID	CHEBI:175451

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C30H50O

Net Charge

Average Mass

426.729

Monoisotopic Mass

426.38617

InChI

InChI=1S/C30H50O/c1-19(2)20-11-15-27(5)21(20)12-17-29(7)23(27)9-10-24-28(6)16-14-25(31)26(3,4)22(28)13-18-30(24,29)8/h20-25,31H,1,9-18H2,2-8H3

InChIKey

LFPVZIIPFONRSW-UHFFFAOYSA-N

SMILES

OC1C(C2C(C3C(C4(C(C5(C(CC4)C(CC5)C(C)=C)C)CC3)C)(CC2)C)(CC1)C)(C)C

ChEBI Ontology
Outgoing	3-Epimoretenol (CHEBI:175451) is a hopanoid (CHEBI:51963)

IUPAC Name

5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-ol