3-Acetoxy-4-cadinen-8-one

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For Research Use Only.
Category
Sesquiterpene
Cat.No.
NP5761
CAS
923950-05-4
Product Name
3-Acetoxy-4-cadinen-8-one
Structure
Structure

Product Details

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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