3-Acetoxy-4,7(11)-Cadinadien-8-One

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Catalog Number ACM104975022
Product Name 3-Acetoxy-4,7(11)-Cadinadien-8-One
CAS Number 104975-02-2
Structure 3-Acetoxy-4,7(11)-Cadinadien-8-One
IUPAC Name [(2S,4aR,8R,8aS)-3,8-dimethyl-6-oxo-5-propan-2-ylidene-1,2,4a,7,8,8a-hexahydronaphthalen-2-yl] acetate
Synonyms 2-Acetyl-Octa-4,6-Dienoic Acid Ethyl Ester
Molecular Weight 276.4
Molecular Formula C17H24O3
Canonical SMILES CC1CC(=O)C(=C(C)C)C2C1CC(C(=C2)C)OC(=O)C
Inchi InChI=1S/C17H24O3/c1-9(2)17-14-6-11(4)16(20-12(5)18)8-13(14)10(3)7-15(17)19/h6,10,13-14,16H,7-8H2,1-5H3/t10-,13+,14+,16+/m1/s1
InChIKey HIEJMYXUMUNVKS-NCFRWKGYSA-N
Boiling Point 377.9±42.0 °C at 760 mmHg
Flash Point 163.7±27.9 °C
Purity 98%
Density 1.1±0.1 g/cm3
Appearance Powder
Refractive Index 1.51

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