Spektraris NMR
ent-19-Carbomethoxykauran-19-oic acid
Common Name: ent-19-Carbomethoxykauran-19-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O4/c1-19-8-4-9-20(2,18(24)25-3)15(19)7-10-21-11-13(5-6-16(19)21)14(12-21)17(22)23/h13-16H,4-12H2,1-3H3,(H,22,23)/t13-,14+,15+,16+,19-,20-,21+/m1/s1
InChIKey: InChIKey=YDAVVXOXSSFVPF-QZVDPCOZSA-N
Formula: C21H32O4
Molecular Weight: 348.477178
Exact Mass: 348.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fatope, M.O., Audu, O.T., Takeda, Y., Zeng, L., Shi, G., Shimada, H., McLaughlin, J.L. J Nat Prod (1996) 59, 301-3
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) | 19.2 |
| 3 (CH2) | 38.1 |
| 4 (C) | 43.9 |
| 5 (CH) | 57 |
| 6 (CH2) | 22.2 |
| 7 (CH2) | 41.7 |
| 8 (C) | 44.5 |
| 9 (CH) | 56.2 |
| 10 (C) | 40 |
| 11 (CH2) | 18.3 |
| 12 (CH2) | 30 |
| 13 (CH) | 45.3 |
| 14 (CH2) | 39.8 |
| 15 (CH2) | 39.4 |
| 16 (CH) | 27.4 |
| 17 (C) | 179.8 |
| 18 (CH3) | 28.8 |
| 19 (C) | 178.1 |
| 20 (CH3) | 15.4 |
| 19a (CH3) | 51.4 |
