Spektraris NMR
(1R,4aalpha)-N,2beta,5,5,8abeta-Pentamethyl-N-methoxy-2-hydroxydecalin-1beta-acetamide
Common Name: (1R,4aalpha)-N,2beta,5,5,8abeta-Pentamethyl-N-methoxy-2-hydroxydecalin-1beta-acetamide
Synonyms: (1R,4aalpha)-N,2beta,5,5,8abeta-Pentamethyl-N-methoxy-2-hydroxydecalin-1beta-acetamide
CAS Registry Number:
InChI: InChI=1S/C18H33NO3/c1-16(2)9-7-10-17(3)13(16)8-11-18(4,21)14(17)12-15(20)19(5)22-6/h13-14,21H,7-12H2,1-6H3/t13-,14+,17-,18+/m0/s1
InChIKey: InChIKey=UTZVSIXTYYWUOB-IHETXDGRSA-N
Formula: C18H33N1O3
Molecular Weight: 311.460249
Exact Mass: 311.246044
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - De la Torre, M.C., Garcia, I., Sierra, M.A. J Nat Prod (2002) 65, 661-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 39.2 |
| 2 (CH2) | 18.5 |
| 3 (CH2) | 44.57 |
| 4 (C) | 33.3 |
| 5 (CH) | 55.91 |
| 6 (CH2) | 20.6 |
| 7 (CH2) | 41.78 |
| 8 (C) | 72.9 |
| 9 (CH) | 56.32 |
| 10 (C) | 38.72 |
| 11 (CH2) | 26.9 |
| 12 (C) | 176.1 |
| 15 (CH3) | 61.2 |
| 16 (CH3) | 33.4 |
| 17 (CH3) | 23.3 |
| 18 (CH3) | 33.4 |
| 19 (CH3) | 21.4 |
| 20 (CH3) | 15.8 |
