Spektraris NMR
15-Acetos-ent-labd-8(17)-en-18-oic acid
Common Name: 15-Acetos-ent-labd-8(17)-en-18-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O4/c1-15(11-14-26-17(3)23)7-9-18-16(2)8-10-19-21(18,4)12-6-13-22(19,5)20(24)25/h15,18-19H,2,6-14H2,1,3-5H3,(H,24,25)/t15?,18-,19+,21+,22+/m1/s1
InChIKey: InChIKey=AAPGEKMDLXBUBL-RGGVNNAKSA-N
Formula: C22H36O4
Molecular Weight: 364.519677
Exact Mass: 364.26136
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) | 37.9 |
| 2 (CH2) | 18.3 |
| 3 (CH2) | 37 |
| 4 (C) | 47.4 |
| 5 (CH) | 49.4 |
| 6 (CH2) | 26.7 |
| 7 (CH2) | 37.8 |
| 8 (C) | 147.9 |
| 9 (CH) | 56.9 |
| 10 (C) | 38.8 |
| 11 (CH2) | 20.6 |
| 12 (CH2) | 35.7 |
| 13 (CH) | 30.2 |
| 14 (CH2) | 35.6 |
| 15 (CH2) | 63 |
| 16 (CH3) | 19.2 |
| 17 (CH2) | 106.9 |
| 18 (C) | 185.4 |
| 19 (CH3) | 16.2 |
| 20 (CH3) | 14.6 |
| 15a (C) | 171.3 |
| 15b (CH3) | 21 |
