Shyobunone

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For Research Use Only.

Category

Sesquiterpene

Cat.No.

NP5573

CAS

21698-44-2

Product Name

Shyobunone

Structure

Description

Shyobunone isolated from the rhizomes of Acorus calamus L.

Synonyms

(2S)-3α-Vinyl-3-methyl-2β-(1-methylvinyl)-6β-isopropylcyclohexanone; (2S,3S,6S)-2-Isopropenyl-6-isopropyl-3-methyl-3-vinylcyclohexanon e

IUPAC Name

(2S,3S,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-one

Molecular Weight

220.4

Molecular Formula

C15H24O

Canonical SMILES

CC(C)C1CCC(C(C1=O)C(=C)C)(C)C=C

InChI

InChI=1S/C15H24O/c1-7-15(6)9-8-12(10(2)3)14(16)13(15)11(4)5/h7,10,12-13H,1,4,8-9H2,2-3,5-6H3/t12-,13+,15+/m0/s1

InChIKey

GWHRSRIPLDHJHR-GZBFAFLISA-N

Boiling Point

290.2±39.0 °C(Predicted)

Density

0.918±0.06 g/cm3(Predicted)

Appearance

Oil

Storage

2-8°C

EINECS

200-258-5

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