Spektraris NMR
15-oxo-ent-kaur-9(11),16-dien-19-oic acid
Common Name: 15-oxo-ent-kaur-9(11),16-dien-19-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O3/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/h6,13-14H,1,4-5,7-11H2,2-3H3,(H,22,23)/t13-,14+,18-,19-,20-/m1/s1
InChIKey: InChIKey=HTFFQSVSMVOFKU-OLINKRDDSA-N
Formula: C20H26O3
Molecular Weight: 314.419392
Exact Mass: 314.188195
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fraga, B.A., Cabrera, I., Amaro-Luis, J.M. J Nat Prod (2008) 71, 1953-5
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) | 20.2 |
| 3 (CH2) | 37.5 |
| 4 (C) | 44.3 |
| 5 (CH) | 47 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 25.6 |
| 8 (C) | 49.5 |
| 9 (C) | 149.6 |
| 10 (C) | 39.6 |
| 11 (CH) | 120.6 |
| 12 (CH2) | 36.2 |
| 13 (CH) | 36.3 |
| 14 (CH2) | 40.1 |
| 15 (C) | 203.2 |
| 16 (C) | 151.4 |
| 17 (CH2) | 115.9 |
| 18 (CH3) | 28.4 |
| 19 (C) | 183.4 |
| 20 (CH3) | 22.9 |
