Spektraris NMR
(1S,3aalpha,8abeta)-Decahydro-7beta-isopropyl-1,4-dimethylazulene-1beta,4beta,8beta-triol
Common Name: (1S,3aalpha,8abeta)-Decahydro-7beta-isopropyl-1,4-dimethylazulene-1beta,4beta,8beta-triol
Synonyms: (1S,3aalpha,8abeta)-Decahydro-7beta-isopropyl-1,4-dimethylazulene-1beta,4beta,8beta-triol
CAS Registry Number:
InChI: InChI=1S/C15H28O3/c1-9(2)10-5-7-14(3,17)11-6-8-15(4,18)12(11)13(10)16/h9-13,16-18H,5-8H2,1-4H3/t10-,11+,12+,13+,14-,15-/m0/s1
InChIKey: InChIKey=CXQOZINRAFPQEX-ZYIYBEKCSA-N
Formula: C15H28O3
Molecular Weight: 256.381594
Exact Mass: 256.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ahmed, A.A., Hegazy, M.E., Hassan, N.M., Wojcinska, M., Karchesy, J., Pare, P.W., Mabry, T.J. Phytochemistry (2006) 67, 1547-53
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 52.1 |
| 2 (CH2) | 23.2 |
| 3 (CH2) | 41.2 |
| 4 (C) | 81.1 |
| 5 (CH) | 55.4 |
| 6 (CH) | 71.4 |
| 7 (CH) | 45.6 |
| 8 (CH2) | 20.5 |
| 9 (CH2) | 48.1 |
| 10 (C) | 75.5 |
| 11 (CH) | 29.6 |
| 12 (CH3) | 21.1 |
| 13 (CH3) | 21.5 |
| 14 (CH3) | 22.2 |
| 15 (CH3) | 23.1 |
