Spektraris NMR
Ent-labda-8(17),13-dien-15,16-olid-19-oic acid methyl ester
Common Name: Ent-labda-8(17),13-dien-15,16-olid-19-oic acid methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O4/c1-14-6-9-17-20(2,10-5-11-21(17,3)19(23)24-4)16(14)8-7-15-12-18(22)25-13-15/h12,16-17H,1,5-11,13H2,2-4H3/t16-,17+,20+,21-/m1/s1
InChIKey: InChIKey=MHAKMDGRIRPMBD-SQBLYHGDSA-N
Formula: C21H30O4
Molecular Weight: 346.461296
Exact Mass: 346.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Vardamides, J.C., Sielinou, V.T., Ndemangou, B., Nkengfack, A.E., Fomum, Z.T., Poumale, H.M., Laatsch, H. Planta Med (2007) 73, 491-5
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) | 39.1 |
| 2 (CH2) | 21.3 |
| 3 (CH2) | 38 |
| 4 (C) | 40.2 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 19.8 |
| 7 (CH2) | 38.5 |
| 8 (C) | 147.2 |
| 9 (CH) | 55.2 |
| 10 (C) | 44.2 |
| 11 (CH2) | 26.1 |
| 12 (CH2) | 27.4 |
| 13 (C) | 174.1 |
| 14 (CH) | 115.1 |
| 15 (C) | 170.9 |
| 16 (CH2) | 73 |
| 17 (CH2) | 106.5 |
| 18 (CH3) | 28.7 |
| 19 (C) | 177.5 |
| 20 (CH3) | 12.5 |
| 19a (CH3) | 51.1 |
