Spektraris NMR
(8S)-8-Acetoxypatchoulol
Common Name: (8S)-8-Acetoxypatchoulol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H28O3/c1-10-6-7-17(19)15(3,4)13-8-12(10)16(17,5)9-14(13)20-11(2)18/h10,12-14,19H,6-9H2,1-5H3/t10-,12?,13?,14-,16-,17+/m0/s1
InChIKey: InChIKey=RAPAFGOPSFDECW-GILVNASBSA-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) | 74.1 |
| 2 (CH2) | 32.8 |
| 3 (CH2) | 28.6 |
| 4 (CH) | 28 |
| 5 (CH) | 42.3 |
| 6 (CH2) | 16.4 |
| 7 (CH) | 42.8 |
| 8 (CH) | 70.6 |
| 9 (CH2) | 37.1 |
| 10 (C) | 38.4 |
| 11 (C) | 40.6 |
| 12 (CH3) | 18.2 |
| 13 (CH3) | 20 |
| 14 (CH3) | 26.1 |
| 15 (CH3) | 24.3 |
| 8a (C) | 170.9 |
| 8b (CH3) | 21.5 |
