Spektraris NMR
Kolavenic acid
Common Name: Kolavenic acid
Synonyms: Kolavenic acid
CAS Registry Number:
InChI: InChI=1S/C20H32O2/c1-14(13-18(21)22)9-11-19(4)16(3)10-12-20(5)15(2)7-6-8-17(19)20/h7,13,16-17H,6,8-12H2,1-5H3,(H,21,22)/b14-13+/t16-,17-,19+,20+/m1/s1
InChIKey: InChIKey=NLVMTSRTOGOFQD-MWRQYBNOSA-N
Formula: C20H32O2
Molecular Weight: 304.467632
Exact Mass: 304.24023
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hara, N., Asaki, H., Fujimoto, Y., Gupta, Y.K., Singh, A.K., Sahai, M. Phytochemistry (1995) 38, 189-94
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) | 18.3 |
| 2 (CH2) | 26.9 |
| 3 (CH) | 120.4 |
| 4 (C) | 144.4 |
| 5 (C) | 38.2 |
| 6 (CH2) | 36.8 |
| 7 (CH2) | 27.4 |
| 8 (CH) | 36.3 |
| 9 (C) | 38.8 |
| 10 (CH) | 46.5 |
| 11 (CH2) | 35 |
| 12 (CH2) | 36.3 |
| 13 (C) | 164.6 |
| 14 (CH) | 114.8 |
| 15 (C) | 171.1 |
| 16 (CH3) | 19.5 |
| 17 (CH3) | 15.9 |
| 18 (CH3) | 18 |
| 19 (CH3) | 19.9 |
| 20 (CH3) | 18.3 |
