(4Z,8R)-Caryophyll-4(5)-ene-8,12-diol

(4Z,8R)-Caryophyll-4(5)-ene-8,12-diol

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)

Carbon NMR Peaks

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