Spektraris NMR
Methyl-ent-labd-8(17)-en-18-oic acid-15-oate
Common Name: Methyl-ent-labd-8(17)-en-18-oic acid-15-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H34O4/c1-14(13-18(22)25-5)7-9-16-15(2)8-10-17-20(16,3)11-6-12-21(17,4)19(23)24/h14,16-17H,2,6-13H2,1,3-5H3,(H,23,24)/t14?,16-,17+,20+,21+/m1/s1
InChIKey: InChIKey=NERLKRLQFYQBJR-ASPXDXRQSA-N
Formula: C21H34O4
Molecular Weight: 350.493059
Exact Mass: 350.24571
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) | 37.8 |
| 2 (CH2) | 18.3 |
| 3 (CH2) | 36.9 |
| 4 (C) | 47.4 |
| 5 (CH) | 49.3 |
| 6 (CH2) | 26.6 |
| 7 (CH2) | 37.7 |
| 8 (C) | 147.7 |
| 9 (CH) | 57 |
| 10 (C) | 38.8 |
| 11 (CH2) | 20.7 |
| 12 (CH2) | 35.6 |
| 13 (CH) | 31 |
| 14 (CH2) | 41.2 |
| 15 (C) | 173.6 |
| 16 (CH3) | 19.8 |
| 17 (CH2) | 106.8 |
| 18 (C) | 185.3 |
| 19 (CH3) | 16.2 |
| 20 (CH3) | 14.5 |
| 15a (CH3) | 51.2 |
