CIS-TRANS-NEPETALACTONE
Compound with spectra: 2 NMR, and 3 MS (GC)
| SpectraBase Compound ID | 93OVIa4AoE8 |
|---|---|
| InChI | InChI=1S/C10H14O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-9H,3-4H2,1-2H3/t6-,8+,9+/m1/s1 |
| InChIKey | ZDKZHVNKFOXMND-YEPSODPASA-N |
| Mol Weight | 166.22 g/mol |
| Molecular Formula | C10H14O2 |
| Exact Mass | 166.09938 g/mol |
| Enantiomer InChIKey | ZDKZHVNKFOXMND-NBEYISGCSA-N |
| Copyright | Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
|---|---|
| Source of Spectrum | Adams' Essential Oil Components (GC-MS), Version 4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | Adams' Essential Oil Components (GC-MS), Version 4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | G2-4-357-4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | Unknown |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
- 4a-.alpha.,7-.alpha.,7a-.alpha.-Nepetalactone
- (4aR,7R,7aS)-Nepetalactone
- Nepetalactone<4a-alpha,7-alpha,7a-alpha->
UFGRADREDASLJW-UHFFFAOYSA-N
(4aS,7S,7aR)-4,7-Dimethyl-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-1-one
AEALQQWQOJTSCC-HXFLIBJXSA-N
(+)-[1S-(1.alpha.,7.alpha.,10.alpha.)]-6-Methylidene-10-methylbicyclo[5.3.0]decan-2-one
(-)-[1R-(1.beta.,7.alpha.,10.alpha.)]-6-Methylidene-10-methylbicyclo[5.3.0]decan-2-one
CYCLOPENTANEACETIC ACID, 2-(METHOXYCARBONYL)-.ALPHA.,3-DIMETHYL-METHYL ESTER
Cyclopenta[c]pyran-3(1H)-one, hexahydro-7-methyl-4-methylene-, (4a.alpha.,7.beta.,7a.alpha.)-(.+-.)-
Ethyl (.alpha.(.xi.),1(.xi.)-3S,5R)-2-Methylene-.alpha.,3,5-trimethyl-1-cyclopentanacetate
| Title | Journal or Book | Year |
|---|---|---|
| Simplified Isolation Procedure and Interconversion of the Diastereomers of Nepetalactone and Nepetalactol | Journal of Natural Products | 2005 |
KnowItAll NMR Spectral Library
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KnowItAll Mass Spectral Library
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