Spektraris NMR
(1S,4aalpha)-1beta-Formyl-5,5,8abeta-trimethyldecalin-2alpha-carboxylic acid
Common Name: (1S,4aalpha)-1beta-Formyl-5,5,8abeta-trimethyldecalin-2alpha-carboxylic acid
Synonyms: (1S,4aalpha)-1beta-Formyl-5,5,8abeta-trimethyldecalin-2alpha-carboxylic acid
CAS Registry Number:
InChI: InChI=1S/C15H24O3/c1-14(2)7-4-8-15(3)11(9-16)10(13(17)18)5-6-12(14)15/h9-12H,4-8H2,1-3H3,(H,17,18)/t10-,11+,12+,15-/m1/s1
InChIKey: InChIKey=BZINVECCUPWPJL-OXJKWZBOSA-N
Formula: C15H24O3
Molecular Weight: 252.349831
Exact Mass: 252.172545
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Montagnac, A., Martin, M.T., Debitus, C., Pais, M. J Nat Prod (1996) 59, 866-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Drimanes; 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 (CH2) | 40.2 |
| 2 (CH2) | 19 |
| 3 (CH2) | 42.5 |
| 4 (C) | 34 |
| 5 (CH) | 54.9 |
| 6 (CH2) | 21.8 |
| 7 (CH2) | 30.2 |
| 8 (CH) | 40.2 |
| 9 (CH) | 64.4 |
| 10 (C) | 38.9 |
| 11 (CH) | 210.9 |
| 12 (C) | 182.9 |
| 13 (CH3) | 34.2 |
| 14 (CH3) | 22.2 |
| 15 (CH3) | 16.6 |
