Spektraris NMR
(9R)-9-Hydroxypatchoulol
Common Name: (9R)-9-Hydroxypatchoulol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H26O2/c1-9-5-6-15(17)13(2,3)10-7-11(9)14(15,4)12(16)8-10/h9-12,16-17H,5-8H2,1-4H3/t9-,10?,11?,12+,14+,15+/m0/s1
InChIKey: InChIKey=FIVPPSZIBGBQNB-JSUQLGMBSA-N
Formula: C15H26O2
Molecular Weight: 238.366308
Exact Mass: 238.19328
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) | 75.3 |
| 2 (CH2) | 33.4 |
| 3 (CH2) | 28.1 |
| 4 (CH) | 27.5 |
| 5 (CH) | 39.2 |
| 6 (CH2) | 24.4 |
| 7 (CH) | 35.3 |
| 8 (CH2) | 36 |
| 9 (CH) | 69.1 |
| 10 (C) | 43.4 |
| 11 (C) | 40.1 |
| 12 (CH3) | 18.6 |
| 13 (CH3) | 15.9 |
| 14 (CH3) | 27.2 |
| 15 (CH3) | 24.3 |
