Spektraris NMR
(1S,4aalpha)-1beta-(Acetoxymethyl)-5,5,8abeta-trimethyldecalin-2beta-ol acetate
Common Name: (1S,4aalpha)-1beta-(Acetoxymethyl)-5,5,8abeta-trimethyldecalin-2beta-ol acetate
Synonyms: (1S,4aalpha)-1beta-(Acetoxymethyl)-5,5,8abeta-trimethyldecalin-2beta-ol acetate
CAS Registry Number:
InChI: InChI=1S/C18H30O4/c1-12(19)21-11-14-15(22-13(2)20)7-8-16-17(3,4)9-6-10-18(14,16)5/h14-16H,6-11H2,1-5H3/t14-,15-,16-,18+/m0/s1
InChIKey: InChIKey=OQQKGRMBCSOPSZ-NBOOPKSLSA-N
Formula: C18H30O4
Molecular Weight: 310.429088
Exact Mass: 310.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Paul, V.J., Seo, Y., Cho, K.W., Rho, J.R., Shin, J., Bergquist, P.R. J Nat Prod (1997) 60, 1115-20
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) | 39.5 |
| 2 (CH2) | 18.3 |
| 3 (CH2) | 41.8 |
| 4 (C) | 33.2 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 17.3 |
| 7 (CH2) | 31.5 |
| 8 (CH) | 69.2 |
| 9 (CH) | 51.5 |
| 10 (C) | 37 |
| 11 (CH2) | 61 |
| 13 (CH3) | 33.6 |
| 14 (CH3) | 21.7 |
| 15 (CH3) | 13 |
| 8a (C) | 171.3 |
| 8b (CH3) | 21.4 |
| 11a (C) | 170.5 |
| 11b (CH3) | 21 |
