3-Acetoxy-4-cadinen-8-one

Inquiry

For Research Use Only.

Category

Sesquiterpene

Cat.No.

NP5761

CAS

923950-05-4

Product Name

3-Acetoxy-4-cadinen-8-one

Structure

Description

3-Acetoxy-4-cadinen-8-one isolated from the herbs of Eupatorium adenophorum.

Synonyms

2(1H)-Naphthalenone, 6-(acetyloxy)-3,4,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1R,4S,4aR,6R,8aS)-

IUPAC Name

[(2S,4aR,5S,8R,8aS)-3,8-dimethyl-6-oxo-5-propan-2-yl-2,4a,5,7,8,8a-hexahydro-1H-naphthalen-2-yl] acetate

Molecular Weight

278.4

Molecular Formula

C17H26O3

Canonical SMILES

CC1CC(=O)C(C2C1CC(C(=C2)C)OC(=O)C)C(C)C

InChI

InChI=1S/C17H26O3/c1-9(2)17-14-6-11(4)16(20-12(5)18)8-13(14)10(3)7-15(17)19/h6,9-10,13-14,16-17H,7-8H2,1-5H3/t10-,13+,14+,16+,17+/m1/s1

InChIKey

BJLBGEPDNAWIIP-NKJUWPKISA-N

Purity

> 95%

Appearance

Cryst.

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