Spektraris NMR
3abeta,8abeta-Dimethyl-6-isopropylidene-1,3a,6,7,8,8a-hexahydroazulene-5(4H)-one
Common Name: 3abeta,8abeta-Dimethyl-6-isopropylidene-1,3a,6,7,8,8a-hexahydroazulene-5(4H)-one
Synonyms: 3abeta,8abeta-Dimethyl-6-isopropylidene-1,3a,6,7,8,8a-hexahydroazulene-5(4H)-one
CAS Registry Number:
InChI: InChI=1S/C15H22O/c1-11(2)12-6-9-14(3)7-5-8-15(14,4)10-13(12)16/h5,8H,6-7,9-10H2,1-4H3/t14-,15+/m0/s1
InChIKey: InChIKey=ZZKXFHQKZXNWDJ-LSDHHAIUSA-N
Formula: C15H22O1
Molecular Weight: 218.33514
Exact Mass: 218.167065
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Barrero, A.F., Herrador, M.M., Lopez-Perez, J.L., Arteaga, J.F., Catalan, J. Org Lett (2009) 11, 4782-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Jasonanes; 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 (C) | 50.1 |
| 2 (CH2) | 51 |
| 3 (C) | 206.2 |
| 4 (C) | 137.2 |
| 5 (CH2) | 24.1 |
| 6 (CH2) | 37.7 |
| 7 (C) | 45.9 |
| 8 (CH2) | 45.8 |
| 9 (CH) | 126.7 |
| 10 (CH) | 140.3 |
| 11 (C) | 137.8 |
| 12 (CH3) | 21.6 |
| 13 (CH3) | 22.4 |
| 14 (CH3) | 23 |
| 15 (CH3) | 23.9 |
