Spektraris NMR
(4E,8R,11S)-Caryophyll-4(5)-ene-8,14-diol
Common Name: (4E,8R,11S)-Caryophyll-4(5)-ene-8,14-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H26O2/c1-11-5-4-8-15(3,17)13-9-14(2,10-16)12(13)7-6-11/h5,12-13,16-17H,4,6-10H2,1-3H3/b11-5+/t12-,13+,14-,15-/m1/s1
InChIKey: InChIKey=JBMKOBNVXWTDIZ-KPAZKADLSA-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) | 50.4 |
| 2 (CH2) | 29.6 |
| 3 (CH2) | 39.4 |
| 4 (C) | 136.2 |
| 5 (CH) | 122.1 |
| 6 (CH2) | 22.3 |
| 7 (CH2) | 40.7 |
| 8 (C) | 74.4 |
| 9 (CH) | 38.4 |
| 10 (CH2) | 29.6 |
| 11 (C) | 35.8 |
| 12 (CH2) | 68.8 |
| 13 (CH3) | 19.1 |
| 14 (CH3) | 16.1 |
| 15 (CH3) | 30 |
