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3391-90-0

3391-90-0 | (S)-()-Pulegone

CAS No: 3391-90-0 Catalog No: AG003CFA MDL No:

Product Description

Catalog Number:
AG003CFA
Chemical Name:
(S)-()-Pulegone
CAS Number:
3391-90-0
IUPAC Name:
(5S)-5-methyl-2-propan-2-ylidenecyclohexan-1-one
InChI:
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m0/s1
InChI Key:
NZGWDASTMWDZIW-QMMMGPOBSA-N
EC Number:
201-943-2
UNII:
HL7Z89M60H
FEMA Number:
2963

Properties

Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
152.12g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.237g/mol
Monoisotopic Mass:
152.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

Literature

Title Journal
Chemical composition and biological assays of essential oils of Calamintha nepeta (L.) Savi subsp. nepeta (Lamiaceae). Natural product research 20101101
Enantiospecific effect of pulegone and pulegone-derived lactones on Myzus persicae (Sulz.) settling and feeding. Journal of chemical ecology 20080401
Identification and structure-activity relationship studies of 3-methylene-2-norbornanone as potent anti-proliferative agents presumably working through p53 mediated apoptosis. Bioorganic & medicinal chemistry letters 20041115
Lactones. 21. Synthesis and odoriferous properties of lactones with the p-menthane system. Journal of agricultural and food chemistry 20040324
In vivo studies on the metabolism of the monoterpene pulegone in humans using the metabolism of ingestion-correlated amounts (MICA) approach: explanation for the toxicity differences between (S)-(-)- and (R)-(+)-pulegone. Journal of agricultural and food chemistry 20031022
An efficient procedure for the preparation of (E)-alpha-alkylidenecycloalkanones mediated by a CeCl(3) x 7H(2)O-NaI system. Novel methodology for the synthesis of (S)-(-)-pulegone. The Journal of organic chemistry 20021213

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