Spektraris NMR
(13xi)-13-Hydroxylabda-8(20),11,14-trien-18-oic acid
Common Name: (13xi)-13-Hydroxylabda-8(20),11,14-trien-18-oic acid
Synonyms: (13xi)-13-Hydroxylabda-8(20),11,14-trien-18-oic acid
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-6-18(3,23)13-10-15-14(2)8-9-16-19(15,4)11-7-12-20(16,5)17(21)22/h6,10,13,15-16,23H,1-2,7-9,11-12H2,3-5H3,(H,21,22)/b13-10+/t15-,16+,18?,19+,20+/m0/s1
InChIKey: InChIKey=IHXWVVUXBITQBH-WOJVTUOPSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, Y.C., Kuo, Y.H. Chem Pharm Bull (2002) 50, 498-500
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) | 39.4 |
| 2 (CH2) | 18.2 |
| 3 (CH2) | 36.2 |
| 4 (C) | 47.2 |
| 5 (CH) | 48.8 |
| 6 (CH2) | 25.6 |
| 7 (CH2) | 37.2 |
| 8 (C) | 149.3 |
| 9 (CH) | 60.5 |
| 10 (C) | 38.1 |
| 11 (CH) | 125.9 |
| 12 (CH) | 138.8 |
| 13 (C) | 73.4 |
| 14 (CH) | 144.1 |
| 15 (CH2) | 112.2 |
| 16 (CH3) | 28.1 |
| 17 (CH2) | 108.5 |
| 18 (C) | 184.1 |
| 19 (CH3) | 16.6 |
| 20 (CH3) | 15.2 |
