Spektraris NMR
15,16-Epoxycleroda-13(16),14-diene-19-oic acid methyl ester
Common Name: 15,16-Epoxycleroda-13(16),14-diene-19-oic acid methyl ester
Synonyms: 15,16-Epoxycleroda-13(16),14-diene-19-oic acid methyl ester
CAS Registry Number:
InChI: InChI=1S/C21H32O3/c1-15-8-11-21(3)17(19(22)23-4)6-5-7-18(21)20(15,2)12-9-16-10-13-24-14-16/h10,13-15,17-18H,5-9,11-12H2,1-4H3/t15-,17+,18-,20+,21+/m0/s1
InChIKey: InChIKey=WRHCVRFRGNAASQ-WYBOHUHJSA-N
Formula: C21H32O3
Molecular Weight: 332.477773
Exact Mass: 332.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Costa, M., Perles, E.C., Fujiwara, F.Y., Imamura, P.M. Phytochemistry (2000) 53, 851-4
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) | 21 |
| 2 (CH2) | 26.2 |
| 3 (CH2) | 24.9 |
| 4 (CH) | 57.6 |
| 5 (C) | 37.3 |
| 6 (CH2) | 39.9 |
| 7 (CH2) | 27.1 |
| 8 (CH) | 36.6 |
| 9 (C) | 38.9 |
| 10 (CH) | 49.3 |
| 11 (CH2) | 38.3 |
| 12 (CH2) | 18.1 |
| 13 (C) | 125.6 |
| 14 (CH) | 111 |
| 15 (CH) | 142.7 |
| 16 (CH) | 138.4 |
| 17 (CH3) | 16 |
| 18 (C) | 175 |
| 19 (CH3) | 14.8 |
| 20 (CH3) | 18.1 |
| 18a (CH3) | 50.9 |
