Spektraris NMR
15,16-Epoxy-ent-labda-8(17),13(16),14-trien-19-ol acetate
Common Name: 15,16-Epoxy-ent-labda-8(17),13(16),14-trien-19-ol acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O3/c1-16-6-9-20-21(3,15-25-17(2)23)11-5-12-22(20,4)19(16)8-7-18-10-13-24-14-18/h10,13-14,19-20H,1,5-9,11-12,15H2,2-4H3/t19-,20-,21+,22+/m1/s1
InChIKey: InChIKey=CFIBGRQOKGDXAB-CZYKHXBRSA-N
Formula: C22H32O3
Molecular Weight: 344.488509
Exact Mass: 344.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - DellaGreca, M., Fiorentino, A., Isidori, M., Monaco, P., Zarrelli, A. Phytochemistry (2000) 55, 909-13
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) | 38.8 |
| 2 (CH2) | 18.9 |
| 3 (CH2) | 36.2 |
| 4 (C) | 39.4 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 24.1 |
| 7 (CH2) | 38.5 |
| 8 (C) | 147.8 |
| 9 (CH) | 56 |
| 10 (C) | 39.4 |
| 11 (CH2) | 23.5 |
| 12 (CH2) | 24.4 |
| 13 (C) | 125.5 |
| 14 (CH) | 110.9 |
| 15 (CH) | 142.7 |
| 16 (CH) | 138.7 |
| 17 (CH2) | 106.7 |
| 18 (CH3) | 27.5 |
| 19 (CH2) | 66.8 |
| 20 (CH3) | 15.3 |
| 19b (C) | 171 |
| 19c (CH3) | 21 |
