Spektraris NMR
ent-15-oxokaur-16-en-19-oate
Common Name: ent-15-oxokaur-16-en-19-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O3/c1-13-14-6-7-16-19(2)9-5-10-20(3,18(23)24-4)15(19)8-11-21(16,12-14)17(13)22/h14-16H,1,5-12H2,2-4H3/t14-,15+,16+,19-,20-,21-/m1/s1
InChIKey: InChIKey=VGIYQTCUAQAPCL-KLSAVCNVSA-N
Formula: C21H30O3
Molecular Weight: 330.461891
Exact Mass: 330.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Boaventura, M.A.D., Oliveira, A.B., Hanson, J.R., Hitchcock, P.B., Takahashi, J.A. Phytochemistry (1995) 40, 1667-9
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) | 39.9 |
| 2 (CH2) | 18.9 |
| 3 (CH2) | 37.9 |
| 4 (C) | 43.8 |
| 5 (CH) | 56.2 |
| 6 (CH2) | 20.1 |
| 7 (CH2) | 33.7 |
| 8 (C) | 52.9 |
| 9 (CH) | 51.6 |
| 10 (C) | 40.1 |
| 11 (CH2) | 18.4 |
| 12 (CH2) | 32.2 |
| 13 (CH) | 38.1 |
| 14 (CH2) | 36.6 |
| 15 (C) | 210.6 |
| 16 (C) | 149.6 |
| 17 (CH2) | 114.4 |
| 18 (CH3) | 28.7 |
| 19 (C) | 177.8 |
| 20 (CH3) | 15.4 |
| 19a (CH3) | 51.1 |
