Spektraris NMR
(5beta,8S,9alpha,10alpha,13R)-8,13-Epoxylabda-14-ene-3alpha-ol 3-(dodecylcarbamate)
Common Name: (5beta,8S,9alpha,10alpha,13R)-8,13-Epoxylabda-14-ene-3alpha-ol 3-(dodecylcarbamate)
Synonyms: (5beta,8S,9alpha,10alpha,13R)-8,13-Epoxylabda-14-ene-3alpha-ol 3-(dodecylcarbamate)
CAS Registry Number:
InChI: InChI=1S/C33H59NO3/c1-8-10-11-12-13-14-15-16-17-18-25-34-29(35)36-28-21-23-32(6)26(30(28,3)4)20-24-33(7)27(32)19-22-31(5,9-2)37-33/h9,26-28H,2,8,10-25H2,1,3-7H3,(H,34,35)/t26-,27+,28-,31+,32-,33+/m1/s1
InChIKey: InChIKey=VRRUOZACSHCIPT-KHSSOVARSA-N
Formula: C33H59N1O3
Molecular Weight: 517.827747
Exact Mass: 517.449495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kalpoutzakis, E., Aligiannis, N., Mitaku, S., Chinou, L., Charvala, C., Skaltsounis, A.L. Chem Pharm Bull (2001) 49, 814-7
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) | 37.2 |
| 2 (CH2) | 24 |
| 3 (CH) | 80.8 |
| 4 (C) | 38 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 19.4 |
| 7 (CH2) | 42.8 |
| 8 (C) | 75.7 |
| 9 (CH) | 58.1 |
| 10 (C) | 36.4 |
| 11 (CH2) | 16 |
| 12 (CH2) | 22.7 |
| 13 (C) | 34.6 |
| 14 (CH) | 73.4 |
| 15 (CH2) | 147.5 |
| 16 (CH3) | 109.6 |
| 17 (CH3) | 32.6 |
| 18 (CH3) | 23.8 |
| 19 (CH3) | 27.9 |
| 20 (CH3) | 16.3 |
| 3a (C) | 156.7 |
| 3b (CH2) | 41 |
| 3c (CH2) | 31.9 |
| 3d (CH2) | 29.3 |
| 3e (CH2) | 29.4 |
| 3f (CH2) | 29.5 |
| 3g (CH2) | 29.6 |
| 3h (CH2) | 29.7 |
| 3i (CH2) | 29.8 |
| 3j (CH2) | 29.9 |
| 3k (CH2) | 30 |
| 3l (CH2) | 26.7 |
| 3m (CH3) | 15.9 |
