Spektraris NMR
15-Methoxy-ent-labd-8(17)13-dien-18-oic acid methyl ester-16,15-olide
Common Name: 15-Methoxy-ent-labd-8(17)13-dien-18-oic acid methyl ester-16,15-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O5/c1-14-7-10-17-21(2,11-6-12-22(17,3)20(24)26-5)16(14)9-8-15-13-18(25-4)27-19(15)23/h13,16-18H,1,6-12H2,2-5H3/t16-,17+,18?,21+,22+/m1/s1
InChIKey: InChIKey=VTZGUCKEMYXHFG-RQDLXRADSA-N
Formula: C22H32O5
Molecular Weight: 376.487318
Exact Mass: 376.224974
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Carreras, C.R., Rossomando, P.C., Giordano, O.S. Phytochemistry (1998) 48, 1031-4
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 |
| 2 (CH2) | 18.3 |
| 3 (CH2) | 36.9 |
| 4 (C) | 47.7 |
| 5 (CH) | 49.8 |
| 6 (CH2) | 26.7 |
| 7 (CH2) | 37.7 |
| 8 (C) | 147.1 |
| 9 (CH) | 56.2 |
| 10 (C) | 39 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 24.3 |
| 13 (C) | 139.1 |
| 14 (CH) | 141.5 |
| 15 (CH) | 102.4 |
| 16 (C) | 171.3 |
| 17 (CH2) | 107.3 |
| 18 (C) | 179.2 |
| 19 (CH3) | 16.5 |
| 20 (CH3) | 14.6 |
| 15a (CH3) | 59.6 |
| 18a (CH3) | 51.9 |
