Spektraris NMR
6a-Hydroxy-ent-labd-8(17)-en-15-oic acid
Common Name: 6a-Hydroxy-ent-labd-8(17)-en-15-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H36O3/c1-14(12-18(23)24-6)8-9-16-15(2)13-17(22)19-20(3,4)10-7-11-21(16,19)5/h14,16-17,19,22H,2,7-13H2,1,3-6H3/t14?,16-,17+,19-,21+/m1/s1
InChIKey: InChIKey=QEQPKPXJECMUIZ-JCOSVOCISA-N
Formula: C21H36O3
Molecular Weight: 336.509536
Exact Mass: 336.266445
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) | 43.9 |
| 2 (CH2) | 19.5 |
| 3 (CH2) | 42 |
| 4 (C) | 34.4 |
| 5 (CH) | 57.4 |
| 6 (CH) | 69.3 |
| 7 (CH2) | 47.7 |
| 8 (C) | 144.3 |
| 9 (CH) | 57.8 |
| 10 (C) | 40.9 |
| 11 (CH2) | 21 |
| 12 (CH2) | 35.6 |
| 13 (CH) | 31 |
| 14 (CH2) | 41.4 |
| 15 (C) | 173.7 |
| 16 (CH3) | 20 |
| 17 (CH2) | 110.2 |
| 18 (CH3) | 23.6 |
| 19 (CH3) | 33.7 |
| 20 (CH3) | 17.1 |
| 15a (CH3) | 51.3 |
