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/C23H38O4/c1-16(14-21(25)26-6)8-10-19-17(2)9-11-20-22(4,15-27-18(3)24)12-7-13-23(19,20)5/h16,19-20H,2,7-15H2,1,3-6H3/t16?,19-,20-,22-,23+/m0/s1
InChIKey: InChIKey=DLKBIWZQBIBLDR-XBLKBCCCSA-N
Formula: C23H38O4
Molecular Weight: 378.546294
Exact Mass: 378.27701
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) | 36 |
| 4 (C) | 38.1 |
| 5 (CH) | 49.5 |
| 6 (CH2) | 20 |
| 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) | 31.1 |
| 14 (CH2) | 41.4 |
| 15 (C) | 173.8 |
| 16 (CH3) | 19.9 |
| 17 (CH2) | 106.6 |
| 18 (CH2) | 73 |
| 19 (CH3) | 17.5 |
| 20 (CH3) | 14.9 |
| 15a (CH3) | 51.3 |
| 18a (C) | 171.3 |
| 18b (CH3) | 20.9 |
