Spektraris NMR
Ent-15b-hydroxy-kaur-16-en-19-oic acid
Common Name: Ent-15b-hydroxy-kaur-16-en-19-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-12-13-5-6-15-18(2)8-4-9-19(3,17(22)23)14(18)7-10-20(15,11-13)16(12)21/h13-16,21H,1,4-11H2,2-3H3,(H,22,23)/t13-,14+,15+,16+,18-,19-,20-/m1/s1
InChIKey: InChIKey=GVGJRXSJJHLPGZ-DZAVYMGKSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lobitz, G.O., Tamayo-Castillo, G., Poveda, L., Merfort, I. Phytochemistry (1998) 49, 805-9
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) | 40.7 |
| 2 (CH2) | 19.1 |
| 3 (CH2) | 31.9 |
| 4 (C) | 43.1 |
| 5 (CH) | 57 |
| 6 (CH2) | 21 |
| 7 (CH2) | 36.3 |
| 8 (C) | 47.8 |
| 9 (CH) | 53.4 |
| 10 (C) | 39.8 |
| 11 (CH2) | 18.3 |
| 12 (CH2) | 32.6 |
| 13 (CH) | 42.3 |
| 14 (CH2) | 35.3 |
| 15 (CH) | 82.7 |
| 16 (C) | 160.4 |
| 17 (CH2) | 108.3 |
| 18 (CH3) | 29 |
| 19 (C) | 182.8 |
| 20 (CH3) | 15.9 |
