Spektraris NMR
Methyl-2b-hydroxy-9-epi-ent-labda-8(17),13(Z)-dien-15-oate
Common Name: Methyl-2b-hydroxy-9-epi-ent-labda-8(17),13(Z)-dien-15-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H34O3/c1-14(11-19(23)24-6)7-9-17-15(2)8-10-18-20(3,4)12-16(22)13-21(17,18)5/h11,16-18,22H,2,7-10,12-13H2,1,3-6H3/b14-11-/t16-,17+,18-,21+/m1/s1
InChIKey: InChIKey=AEXAUMWSDWUKOT-DNASHCKOSA-N
Formula: C21H34O3
Molecular Weight: 334.493654
Exact Mass: 334.250795
NMR Solvent: X
MHz:
Calibration:
NMR references: 13C - Garbarino, J.A., Chamy, M.C., Piovano, M., Espinoza, L., Belmonte, E. Phytochemistry (2004) 65, 903-8
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) | 48.4 |
| 2 (CH) | 65.9 |
| 3 (CH2) | 51.1 |
| 4 (C) | 35 |
| 5 (CH) | 54.8 |
| 6 (CH2) | 23.9 |
| 7 (CH2) | 38 |
| 8 (C) | 147.4 |
| 9 (CH) | 57 |
| 10 (C) | 41.1 |
| 11 (CH2) | 22.2 |
| 12 (CH2) | 32.6 |
| 13 (C) | 160.8 |
| 14 (CH) | 115.7 |
| 15 (C) | 166.7 |
| 16 (CH3) | 25.3 |
| 17 (CH2) | 107.3 |
| 18 (CH3) | 33.6 |
| 19 (CH3) | 22.6 |
| 20 (CH3) | 15.3 |
| 15b (CH3) | 51.2 |
