Rotundone - CAS 18374-76-0


Rotundone (CAS 18374-76-0) is a sesquiterpene originally discovered in the tubers of Cyperus rotundus. Rotundone is also present in the essential oils of black pepper, marjoram, oregano, rosemary, basil, thyme, and geranium, as well as in some Syrah wines. It imparts a peppery aroma.The proposed biosynthetic scheme for rotundone involves both the methylerythritol phosphate (MEP) and the mevalonate (MVA) pathways. 

Catalog Number: M086527

CAS Number: 18374-76-0

PubChem Substance ID:355200777

Molecular Formula: C15H22O

Molecular Weight:218.34

Purity: ≥95%

* For research use only. Not for human or veterinary use.

Synonym

Synonyms(-)-Rotundone; (3S,5R,8S)-3,4,5,6,7,8-Hexahydro-3,8-dimethyl-5-(1-methylethenyl)-1(2H)-azulenone

Property

Molecular Formula: C15H22O
Molecular Weight218.34
Purity≥95%
StorageStore at -20°C

Computed Descriptor

IUPAC Name(3S,5R,8S)-3,8-dimethyl-5-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2H-azulen-1-one
InChIInChI=1S/C15H22O/c1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)16/h10-12H,1,5-8H2,2-4H3/t10-,11-,12+/m0/s1
InChIKeyNUWMTBMCSQWPDG-SDDRHHMPSA-N
SMILESCC1CCC(CC2=C1C(=O)CC2C)C(=C)C