3-[2-[2-Methylene-5,8aalpha-dimethyl-5alpha-(hydroxymethyl)decalin-1alpha-yl]ethyl]furan-2(5H)-one (CHEBI:182356)

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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-[2-[2-Methylene-5,8aalpha-dimethyl-5alpha-(hydroxymethyl)decalin-1alpha-yl]ethyl]furan-2(5H)-one

ChEBI ID	CHEBI:182356

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H30O3

Net Charge

Average Mass

318.457

Monoisotopic Mass

318.21949

InChI

InChI=1S/C20H30O3/c1-14-5-8-17-19(2,13-21)10-4-11-20(17,3)16(14)7-6-15-9-12-23-18(15)22/h9,16-17,21H,1,4-8,10-13H2,2-3H3/t16-,17?,19+,20+/m1/s1

InChIKey

WKKBRRFSRMDTJB-RNHVSHAASA-N

SMILES

OC[C@]1(C2[C@]([C@@H](C(CC2)=C)CCC3=CCOC3=O)(CCC1)C)C

ChEBI Ontology
Outgoing	3-[2-[2-Methylene-5,8aalpha-dimethyl-5alpha-(hydroxymethyl)decalin-1alpha-yl]ethyl]furan-2(5H)-one (CHEBI:182356) is a diterpene lactone (CHEBI:49193)

IUPAC Name

4-[2-[(1R,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-uran-5-one