(4S,4aR)-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one (CHEBI:182254)

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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	(4S,4aR)-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one

ChEBI ID	CHEBI:182254

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H24O2

Net Charge

Average Mass

236.355

Monoisotopic Mass

236.17763

InChI

InChI=1S/C15H24O2/c1-10-8-12(17)13-14(2,3)6-5-7-15(13,4)11(10)9-16/h8,11,13,16H,5-7,9H2,1-4H3/t11-,13?,15+/m0/s1

InChIKey

CDVMOSRXPDTXBF-LKVSRFHLSA-N

SMILES

O=C1C2[C@](CCCC2(C)C)([C@H](C(=C1)C)CO)C

ChEBI Ontology
Outgoing	(4S,4aR)-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one (CHEBI:182254) is a cyclohexenones (CHEBI:48953)

IUPAC Name

(4S,4aR)-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one