Spektraris NMR
Methyl 16a-methoxykauran-19-oate
Common Name: Methyl 16a-methoxykauran-19-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O3/c1-19-10-6-11-20(2,18(23)24-4)16(19)9-12-22-13-15(7-8-17(19)22)21(3,14-22)25-5/h15-17H,6-14H2,1-5H3/t15-,16+,17+,19-,20-,21+,22+/m1/s1
InChIKey: InChIKey=QPEPJQKLVIHQQT-MZFQVPLLSA-N
Formula: C22H36O3
Molecular Weight: 348.520272
Exact Mass: 348.266445
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Boeck, P., Sa, M.M., de Souza, B.S., Cercena, R., Escalante, A.M., Zachino, S.A., Cechinel, V., Yunes, R.A. J Braz Chem Soc (2005) 16, 1360-6
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) | 40.6 |
| 2 (CH2) | 19 |
| 3 (CH2) | 37.1 |
| 4 (C) | 43.2 |
| 5 (CH) | 56.9 |
| 6 (CH2) | 22 |
| 7 (CH2) | 42 |
| 8 (C) | 44.6 |
| 9 (CH) | 54.5 |
| 10 (C) | 38 |
| 11 (CH2) | 18.4 |
| 12 (CH2) | 29.6 |
| 13 (CH) | 43.7 |
| 14 (CH2) | 39.4 |
| 15 (CH2) | 49.1 |
| 16 (C) | 83.9 |
| 17 (CH3) | 18.2 |
| 18 (CH3) | 28.6 |
| 19 (C) | 178 |
| 20 (CH3) | 15.2 |
| 16a (CH3) | 55.9 |
| 19a (CH3) | 51 |
