Spektraris NMR
(4E,6R,8R)-Caryophyll-4(5)-ene-6,8-diol
Common Name: (4E,6R,8R)-Caryophyll-4(5)-ene-6,8-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H26O2/c1-10-5-6-12-13(9-14(12,2)3)15(4,17)8-11(16)7-10/h7,11-13,16-17H,5-6,8-9H2,1-4H3/b10-7+/t11-,12+,13-,15+/m0/s1
InChIKey: InChIKey=UXNDDLDGKFXYOB-LOZBPKBGSA-N
Formula: C15H26O2
Molecular Weight: 238.366308
Exact Mass: 238.19328
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duran-Patron, R., Aleu, J., Hernandez-Galan, R., Collado, I.G. J Nat Prod (2000) 63, 44-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Caryophyllanes; 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 (CH) | 47.6 |
| 2 (CH2) | 29.5 |
| 3 (CH2) | 34.2 |
| 4 (C) | 136.9 |
| 5 (CH) | 129.6 |
| 6 (CH) | 65.5 |
| 7 (CH2) | 52.7 |
| 8 (C) | 72.6 |
| 9 (CH) | 52.1 |
| 10 (CH2) | 37 |
| 11 (C) | 32.2 |
| 12 (CH3) | 29.2 |
| 13 (CH3) | 21.7 |
| 14 (CH3) | 21.1 |
| 15 (CH3) | 29.3 |
