Spektraris NMR
2-OXO-KOLAVENIC ACID
Common Name: 2-OXO-KOLAVENIC ACID
Synonyms: 2-OXO-KOLAVENIC ACID
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-13(10-18(22)23)6-8-19(4)14(2)7-9-20(5)15(3)11-16(21)12-17(19)20/h10-11,14,17H,6-9,12H2,1-5H3,(H,22,23)/b13-10+/t14-,17-,19+,20+/m1/s1
InChIKey: InChIKey=SLMFLTPPPXRYHP-OHGCEXCKSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lajide, L., Escoubas, P., Mizutani, J. Phytochemistry (1995) 40, 1101-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 35.9 |
| 2 (C) | 200.5 |
| 3 (CH) | 126.3 |
| 4 (C) | 171.8 |
| 5 (C) | 40.3 |
| 6 (CH2) | 35.4 |
| 7 (CH2) | 27.1 |
| 8 (CH) | 36.4 |
| 9 (C) | 39.2 |
| 10 (CH) | 46.2 |
| 11 (CH2) | 34.7 |
| 12 (CH2) | 36 |
| 13 (C) | 163.6 |
| 14 (CH) | 114.9 |
| 15 (C) | 172.8 |
| 16 (CH3) | 19.4 |
| 17 (CH3) | 16.2 |
| 18 (CH3) | 18.8 |
| 19 (CH3) | 19.9 |
| 20 (CH3) | 18.3 |
