Spektraris NMR
(9R)-9-Acetoxypatchoulol
Common Name: (9R)-9-Acetoxypatchoulol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H28O3/c1-10-6-7-17(19)15(3,4)12-8-13(10)16(17,5)14(9-12)20-11(2)18/h10,12-14,19H,6-9H2,1-5H3/t10-,12?,13?,14+,16+,17+/m0/s1
InChIKey: InChIKey=MTRDJBPAIZDSHC-CRMYWFPQSA-N
Formula: C17H28O3
Molecular Weight: 280.403066
Exact Mass: 280.203845
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) | 71.5 |
| 2 (CH2) | 33.1 |
| 3 (CH2) | 28 |
| 4 (CH) | 27.4 |
| 5 (CH) | 39 |
| 6 (CH2) | 24.2 |
| 7 (CH) | 33.8 |
| 8 (CH2) | 36.4 |
| 9 (CH) | 72.8 |
| 10 (C) | 42.8 |
| 11 (C) | 40 |
| 12 (CH3) | 18.2 |
| 13 (CH3) | 15.7 |
| 14 (CH3) | 27.1 |
| 15 (CH3) | 24.2 |
| 9a (C) | 170.9 |
| 9b (CH3) | 21.3 |
