Spektraris NMR
19,20-Dihydroxy-15,16-epoxy-8(17),13(16),14-ent-labdatriene
Common Name: 19,20-Dihydroxy-15,16-epoxy-8(17),13(16),14-ent-labdatriene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-15-4-7-18-19(2,13-21)9-3-10-20(18,14-22)17(15)6-5-16-8-11-23-12-16/h8,11-12,17-18,21-22H,1,3-7,9-10,13-14H2,2H3/t17-,18-,19+,20-/m1/s1
InChIKey: InChIKey=AGXJCNOBJWLHQO-YSTOQKLRSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - DellaGreca, M., Fiorentino, A., Isidori, M., Monaco, P., Temussi, F., Zarrelli, A. Phytochemistry (2001) 58, 299-304
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) | 36.3 |
| 2 (CH2) | 18.8 |
| 3 (CH2) | 38.5 |
| 4 (C) | 38.8 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 23.6 |
| 7 (CH2) | 34.5 |
| 8 (C) | 151.8 |
| 9 (CH) | 55.5 |
| 10 (C) | 44.6 |
| 11 (CH2) | 26.2 |
| 12 (CH2) | 24.8 |
| 13 (C) | 125 |
| 14 (CH) | 110.9 |
| 15 (CH) | 142.8 |
| 16 (CH) | 138.8 |
| 17 (CH2) | 106.1 |
| 18 (CH3) | 27.9 |
| 19 (CH2) | 67.4 |
| 20 (CH2) | 65.8 |
