Spektraris NMR
1-Patchoulene-4α,7α-diol
Common Name: 1-Patchoulene-4α,7α-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O2/c1-12(2)13(3)7-8-15(12,17)9-11-10(13)5-6-14(11,4)16/h5,11,16-17H,6-9H2,1-4H3/t11-,13+,14-,15+/m1/s1
InChIKey: InChIKey=CACULIXBSFBBKT-BEAPCOKYSA-N
Formula: C15H24O2
Molecular Weight: 236.350426
Exact Mass: 236.17763
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, H.X., Liu, C.M., Liu, Q., Gao, K. Phytochemistry (2008) 69, 2088-94
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) | 150.2 |
| 2 (CH) | 115.1 |
| 3 (CH2) | 49 |
| 4 (C) | 81.2 |
| 5 (CH) | 51.4 |
| 6 (CH2) | 34.4 |
| 7 (C) | 81.6 |
| 8 (CH2) | 34.8 |
| 9 (CH2) | 33.7 |
| 10 (C) | 46.6 |
| 11 (C) | 46.7 |
| 12 (CH3) | 17.2 |
| 13 (CH3) | 118.4 |
| 14 (CH3) | 16.7 |
| 15 (CH3) | 25.4 |
