Spektraris NMR
( +)-18-Tigloyloxymanool
Common Name: ( +)-18-Tigloyloxymanool
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H40O3/c1-8-18(3)22(26)28-17-23(5)14-10-15-25(7)20(13-16-24(6,27)9-2)19(4)11-12-21(23)25/h8-9,20-21,27H,2,4,10-17H2,1,3,5-7H3/b18-8+/t20-,21-,23+,24+,25+/m0/s1
InChIKey: InChIKey=BFNBRPKAWVXVQI-KPOHRPERSA-N
Formula: C25H40O3
Molecular Weight: 388.584242
Exact Mass: 388.297745
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lu, T.S., Vargas, D., Franzblau, S.G., Fischer, N.H. Phytochemistry (1995) 38, 451-6
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) | 38.5 |
| 2 (CH2) | 19 |
| 3 (CH2) | 36.5 |
| 4 (C) | 37.8 |
| 5 (CH) | 56.3 |
| 6 (CH2) | 24.5 |
| 7 (CH2) | 38.9 |
| 8 (C) | 147.9 |
| 9 (CH) | 57.4 |
| 10 (C) | 40.1 |
| 11 (CH2) | 17.8 |
| 12 (CH2) | 41.3 |
| 13 (C) | 73.8 |
| 14 (CH) | 145.3 |
| 15 (CH2) | 111.6 |
| 16 (CH3) | 27.7 |
| 17 (CH2) | 107 |
| 18 (CH3) | 66.7 |
| 19 (CH2) | 27.7 |
| 20 (CH3) | 15.2 |
| 19a (C) | 168.6 |
| 19b (C) | 129 |
| 19c (CH) | 136.8 |
| 19d (CH3) | 14.3 |
| 19ba (CH3) | 12.1 |
