Spektraris NMR
18a-Acetoxylabd-8(17)-en-15-oic acid
Common Name: 18a-Acetoxylabd-8(17)-en-15-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O4/c1-15(13-20(24)25)7-9-18-16(2)8-10-19-21(4,14-26-17(3)23)11-6-12-22(18,19)5/h15,18-19H,2,6-14H2,1,3-5H3,(H,24,25)/t15?,18-,19-,21-,22+/m0/s1
InChIKey: InChIKey=NJMFZDTYMRZXER-KBWVQKTJSA-N
Formula: C22H36O4
Molecular Weight: 364.519677
Exact Mass: 364.26136
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Faini, F., Labbe, C., Torres, R., Delle Monache, F., Delle Monache, G. Phytochemistry (1999) 52, 1547-50
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) | 38.5 |
| 2 (CH2) | 18.6 |
| 3 (CH2) | 35.9 |
| 4 (C) | 38 |
| 5 (CH) | 49.4 |
| 6 (CH2) | 20.9 |
| 7 (CH2) | 36.9 |
| 8 (C) | 148.1 |
| 9 (CH) | 57.2 |
| 10 (C) | 39.6 |
| 11 (CH2) | 21 |
| 12 (CH2) | 35.8 |
| 13 (CH) | 31 |
| 14 (CH2) | 41 |
| 15 (C) | 177.9 |
| 16 (CH3) | 19.9 |
| 17 (CH2) | 106.7 |
| 18 (CH2) | 73 |
| 19 (CH3) | 17.5 |
| 20 (CH3) | 14.9 |
| 18a (C) | 171.4 |
| 18b (CH3) | 21.1 |
