Spektraris NMR
ent-7β-Hydroxykaur-15-en-19-oic acid
Common Name: ent-7β-Hydroxykaur-15-en-19-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-12-10-20-11-13(12)5-6-14(20)18(2)7-4-8-19(3,17(22)23)15(18)9-16(20)21/h10,13-16,21H,4-9,11H2,1-3H3,(H,22,23)/t13?,14-,15-,16+,18-,19+,20-/m0/s1
InChIKey: InChIKey=UELMXLMCUGPDGU-JJRGXMIISA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Gaspar-Marques, C., Simoes, M.F., Rodriguez, B. J Nat Prod (2004) 67, 614-21
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 41.4 |
| 2 (CH2) | 19.9 |
| 3 (CH2) | 38.7 |
| 4 (C) | 43.8 |
| 5 (CH) | 54.3 |
| 6 (CH2) | 31.2 |
| 7 (CH) | 75.4 |
| 8 (C) | 56.2 |
| 9 (CH) | 48.1 |
| 10 (C) | 40.1 |
| 11 (CH2) | 19.5 |
| 12 (CH2) | 26 |
| 13 (CH) | 44.7 |
| 14 (CH2) | 35.7 |
| 15 (CH) | 134.6 |
| 16 (C) | 143 |
| 17 (CH3) | 15.5 |
| 18 (CH3) | 29.2 |
| 19 (C) | 178.7 |
| 20 (CH3) | 16.1 |
