Spektraris NMR
(13E)-7beta-Acetoxy-15-hydroxylabda-8(20),13-dien-19-oic acid methyl ester
Common Name: (13E)-7beta-Acetoxy-15-hydroxylabda-8(20),13-dien-19-oic acid methyl ester
Synonyms: (13E)-7beta-Acetoxy-15-hydroxylabda-8(20),13-dien-19-oic acid methyl ester
CAS Registry Number:
InChI: InChI=1S/C23H36O5/c1-15(10-13-24)8-9-18-16(2)19(28-17(3)25)14-20-22(18,4)11-7-12-23(20,5)21(26)27-6/h10,18-20,24H,2,7-9,11-14H2,1,3-6H3/b15-10+/t18-,19-,20+,22+,23-/m0/s1
InChIKey: InChIKey=TYAGAGGQBBYQMU-FPQGUNAKSA-N
Formula: C23H36O5
Molecular Weight: 392.529817
Exact Mass: 392.256274
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Su, W.C., Fang, J.M., Cheng, Y.S. Phytochemistry (1994) 37, 1109-14
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) | 38.9 |
| 2 (CH2) | 19.8 |
| 3 (CH2) | 37.5 |
| 4 (C) | 44.1 |
| 5 (CH) | 53.2 |
| 6 (CH2) | 32.2 |
| 7 (CH) | 75.5 |
| 8 (C) | 145.2 |
| 9 (CH) | 53.5 |
| 10 (C) | 39.7 |
| 11 (CH2) | 21 |
| 12 (CH2) | 38.1 |
| 13 (C) | 139.1 |
| 14 (CH) | 124 |
| 15 (CH2) | 59.4 |
| 16 (CH3) | 16 |
| 17 (CH2) | 103.8 |
| 18 (CH3) | 28.6 |
| 19 (C) | 177.3 |
| 20 (CH3) | 12.5 |
| 7a (C) | 170.2 |
| 7b (CH3) | 21.2 |
| 19a (CH3) | 51.3 |
