5-(1-oxopropan-2-yl)isolongifol-5-ene (CHEBI:48329)

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ChEBI Name	5-(1-oxopropan-2-yl)isolongifol-5-ene

ChEBI ID	CHEBI:48329

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C18H28O

Net Charge

Average Mass

260.41432

Monoisotopic Mass

260.21402

InChI

InChI=1S/C18H28O/c1-12(11-19)14-7-8-16(2,3)18-9-6-13(10-18)17(4,5)15(14)18/h11-13H,6-10H2,1-5H3/t12?,13-,18-/m0/s1

InChIKey

UZEYTOTWRRZDNB-UAGUUWOPSA-N

SMILES

CC(C=O)C1=C2C(C)(C)[C@H]3CC[C@@]2(C3)C(C)(C)CC1

Roles Classification
Application(s):	fragrance A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.

ChEBI Ontology
Outgoing	5-(1-oxopropan-2-yl)isolongifol-5-ene (CHEBI:48329) has role fragrance (CHEBI:48318) 5-(1-oxopropan-2-yl)isolongifol-5-ene (CHEBI:48329) is a isolongifolane sesquiterpenoid (CHEBI:48418)

IUPAC Name

2-[(1S,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.0^1,6]undec-5-en-5-yl]propanal

Synonym	Source
2-(2,2,7,7-tetramethyltricyclo[6.2.1.0^1,6]undec-5-en-5-yl)propanal	Patent

Last Modified

01 February 2008