Spektraris NMR
8(17),13-ent-Labdadien-15-->16,19-->20 dolactone
Common Name: 8(17),13-ent-Labdadien-15-->16,19-->20 dolactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O4/c1-13-4-7-16-19(2)9-3-10-20(16,18(22)24-12-19)15(13)6-5-14-8-11-23-17(14)21/h8,15-16H,1,3-7,9-12H2,2H3/t15-,16-,19+,20-/m1/s1
InChIKey: InChIKey=WOJFQQBABNELSQ-YAJHFMINSA-N
Formula: C20H26O4
Molecular Weight: 330.418797
Exact Mass: 330.183109
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cangiano T., DellaGreca M., Fiorentino A., Isidori M., Monaco P., Zarrelli A. Phytochemistry (2001) 56, 469-73
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) | 36.9 |
| 2 (CH2) | 20.8 |
| 3 (CH2) | 41.1 |
| 4 (C) | 33.4 |
| 5 (CH) | 49.5 |
| 6 (CH2) | 28 |
| 7 (CH2) | 36.1 |
| 8 (C) | 145 |
| 9 (CH) | 52.6 |
| 10 (C) | 51.2 |
| 11 (CH2) | 23.7 |
| 12 (CH2) | 24.9 |
| 13 (C) | 134.7 |
| 14 (CH) | 143.9 |
| 15 (CH2) | 70.2 |
| 16 (C) | 174.3 |
| 17 (CH2) | 108.4 |
| 18 (CH3) | 23.8 |
| 19 (CH2) | 76.4 |
| 20 (C) | 173 |
