Common Name: (4Z,8R)-Caryophyll-4(5)-ene-8,12-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H26O2/c1-14(2)9-13-12(14)7-6-11(10-16)5-4-8-15(13,3)17/h5,12-13,16-17H,4,6-10H2,1-3H3/b11-5-/t12-,13+,15-/m1/s1
InChIKey: InChIKey=HUZSWTMLEWDDCM-UUIQKQLESA-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)
Position | PPM |
---|---|
1 (CH) | 48.3 |
2 (CH2) | 29.8 |
3 (CH2) | 31.6 |
4 (C) | 135.7 |
5 (CH) | 132.8 |
6 (CH2) | 24.5 |
7 (CH2) | 44.3 |
8 (C) | 73.8 |
9 (CH) | 52.7 |
10 (CH2) | 37.9 |
11 (C) | 32.4 |
12 (CH3) | 29.4 |
13 (CH3) | 22.1 |
14 (CH2) | 61.4 |
15 (CH3) | 30.9 |