Spektraris NMR
5α,7α,10βH-4(14)-Patchoulen-2α-ol
Common Name: 5α,7α,10βH-4(14)-Patchoulen-2α-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O/c1-9-7-13(16)15-10(2)5-6-11(8-12(9)15)14(15,3)4/h10-13,16H,1,5-8H2,2-4H3/t10-,11-,12+,13+,15+/m1/s1
InChIKey: InChIKey=NVMNSYJDDAJQAQ-BIGJJFBESA-N
Formula: C15H24O1
Molecular Weight: 220.351021
Exact Mass: 220.182715
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Aguilar-Guadarrama, A.B., Rios, M.Y. J Nat Prod (2004) 67, 914-7
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) | 58.3 |
| 2 (CH) | 73.4 |
| 3 (CH2) | 40.2 |
| 4 (C) | 148.8 |
| 5 (CH) | 52.5 |
| 6 (CH2) | 42.8 |
| 7 (CH) | 60.6 |
| 8 (CH2) | 26.6 |
| 9 (CH2) | 40.3 |
| 10 (CH) | 45.3 |
| 11 (C) | 41.5 |
| 12 (CH3) | 25.6 |
| 13 (CH3) | 27 |
| 14 (CH2) | 108.2 |
| 15 (CH3) | 14.7 |
