Spektraris NMR
Patchoulol
Common Name: Patchoulol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H26O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11?,12?,14-,15+/m0/s1
InChIKey: InChIKey=GGHMUJBZYLPWFD-VYDMZQQASA-N
Formula: C15H26O1
Molecular Weight: 222.366903
Exact Mass: 222.198365
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Aleu, J., Hanson, J.R., Galan, R.H., Collado, I.G. J Nat Prod (1999) 62, 437-40
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Patchoulanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (C) | 75.6 |
| 2 (CH2) | 32.7 |
| 3 (CH2) | 28.6 |
| 4 (CH) | 28.1 |
| 5 (CH) | 43.7 |
| 6 (CH2) | 24.6 |
| 7 (CH) | 39.1 |
| 8 (CH2) | 24.3 |
| 9 (CH2) | 28.8 |
| 10 (C) | 37.7 |
| 11 (C) | 40.1 |
| 12 (CH3) | 18.5 |
| 13 (CH3) | 20.6 |
| 14 (CH3) | 26.8 |
| 15 (CH3) | 24.3 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.