Spektraris NMR
(1R,4aalpha)-2beta-Acetyl-6beta-(hydroxyacetyl)-2,6,8abeta-trimethyldecalin-1beta-acetic acid
Common Name: (1R,4aalpha)-2beta-Acetyl-6beta-(hydroxyacetyl)-2,6,8abeta-trimethyldecalin-1beta-acetic acid
Synonyms: (1R,4aalpha)-2beta-Acetyl-6beta-(hydroxyacetyl)-2,6,8abeta-trimethyldecalin-1beta-acetic acid
CAS Registry Number:
InChI: InChI=1S/C19H30O5/c1-12(21)18(3)6-5-13-10-17(2,15(22)11-20)7-8-19(13,4)14(18)9-16(23)24/h13-14,20H,5-11H2,1-4H3,(H,23,24)/t13-,14-,17-,18+,19-/m0/s1
InChIKey: InChIKey=HSTTXHMUHOGAOL-HLQCWHFUSA-N
Formula: C19H30O5
Molecular Weight: 338.439229
Exact Mass: 338.209324
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kijjoa, A., Polonia, M.A., Pinto, M.M.M., Kitiratakarn, T., Gedris, T.E., Herz, W. Phytochemistry (1994) 37, 197-200
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Dolabranes; 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) | 38.5 |
| 2 (C) | 177.3 |
| 4 (C) | 213.9 |
| 5 (C) | 50.5 |
| 6 (CH2) | 35.2 |
| 7 (CH2) | 27.1 |
| 8 (CH) | 41.4 |
| 9 (C) | 38.4 |
| 10 (CH) | 53.9 |
| 11 (CH2) | 32.2 |
| 12 (CH2) | 28.3 |
| 13 (C) | 45.4 |
| 14 (CH2) | 31.3 |
| 15 (C) | 215 |
| 16 (CH2) | 63.7 |
| 17 (CH3) | 20.5 |
| 18 (CH3) | 28.2 |
| 19 (CH3) | 27.5 |
| 20 (CH3) | 12 |
