Spektraris NMR
12-epi-Methyl-barbascoate
Common Name: 12-epi-Methyl-barbascoate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H26O5/c1-20-9-7-15-19(23)26-16(13-8-10-25-12-13)11-21(15,2)17(20)6-4-5-14(20)18(22)24-3/h5,8,10,12,15-17H,4,6-7,9,11H2,1-3H3/t15-,16-,17-,20-,21-/m0/s1
InChIKey: InChIKey=CCRPRTUMLVVFRR-RNEDXHKXSA-N
Formula: C21H26O5
Molecular Weight: 358.428938
Exact Mass: 358.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Peres, M., Pizzolatti, M.G., Yunes, R.A., Delle Monache, F. Phytochemistry (1998) 49, 171-4
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) | 17.4 |
| 2 (CH2) | 26.8 |
| 3 (CH) | 137.1 |
| 4 (C) | 141.2 |
| 5 (C) | 36.7 |
| 6 (CH2) | 14.8 |
| 7 (CH2) | 18.3 |
| 8 (CH) | 51.2 |
| 9 (C) | 37 |
| 10 (CH) | 52.5 |
| 11 (CH2) | 44 |
| 12 (CH) | 71.8 |
| 13 (C) | 125.9 |
| 14 (CH) | 108.5 |
| 15 (CH) | 143.8 |
| 16 (CH) | 139.3 |
| 17 (C) | 172.4 |
| 18 (C) | 167.3 |
| 19 (CH3) | 20.9 |
| 20 (CH3) | 14.5 |
| 18a (CH3) | 51.3 |
