Spektraris NMR
19-Acetoxy-20-oxo-8(17),13-ent-labdadien-15-->16 lactone
Common Name: 19-Acetoxy-20-oxo-8(17),13-ent-labdadien-15-->16 lactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O5/c1-15-5-8-19-21(3,14-27-16(2)24)10-4-11-22(19,13-23)18(15)7-6-17-9-12-26-20(17)25/h9,13,18-19H,1,4-8,10-12,14H2,2-3H3/t18-,19-,21+,22-/m1/s1
InChIKey: InChIKey=WYONPMFSPVLPSA-KRXUUXHPSA-N
Formula: C22H30O5
Molecular Weight: 374.471437
Exact Mass: 374.209324
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) | 31.9 |
| 2 (CH2) | 19.1 |
| 3 (CH2) | 38 |
| 4 (C) | 37.3 |
| 5 (CH) | 53.5 |
| 6 (CH2) | 24 |
| 7 (CH2) | 36.5 |
| 8 (C) | 145.1 |
| 9 (CH) | 54.3 |
| 10 (C) | 53.3 |
| 11 (CH2) | 22.2 |
| 12 (CH2) | 23.9 |
| 13 (C) | 134.2 |
| 14 (CH) | 144 |
| 15 (CH2) | 70.2 |
| 16 (C) | 174.2 |
| 17 (CH2) | 108.1 |
| 18 (CH3) | 26.6 |
| 19 (CH2) | 66.4 |
| 20 (CH) | 206.6 |
| 19a (C) | 170.9 |
| 19b (CH3) | 20.9 |
