Spektraris NMR
(4Z,8R,11S)-Caryophyll-4(5)-ene-8,12,14-triol
Common Name: (4Z,8R,11S)-Caryophyll-4(5)-ene-8,12,14-triol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H26O3/c1-14(10-17)8-13-12(14)6-5-11(9-16)4-3-7-15(13,2)18/h4,12-13,16-18H,3,5-10H2,1-2H3/b11-4-/t12-,13+,14-,15-/m1/s1
InChIKey: InChIKey=ZXXPPFVLMJDNBO-MNVIUANYSA-N
Formula: C15H26O3
Molecular Weight: 254.365713
Exact Mass: 254.188195
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) | 48.3 |
| 2 (CH2) | 27.7 |
| 3 (CH2) | 31.6 |
| 4 (C) | 134.4 |
| 5 (CH) | 132.8 |
| 6 (CH2) | 24.2 |
| 7 (CH2) | 43.9 |
| 8 (C) | 73.5 |
| 9 (CH) | 52.1 |
| 10 (CH2) | 32.7 |
| 11 (C) | 37.1 |
| 12 (CH2) | 66.8 |
| 13 (CH3) | 22.1 |
| 14 (CH2) | 61.3 |
| 15 (CH3) | 30.6 |
