Spektraris NMR
1b-Angeloyloxy-8-oxoeremophil-6,9-dien-12-oic acid methyl ester
Common Name: 1b-Angeloyloxy-8-oxoeremophil-6,9-dien-12-oic acid methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O5/c1-7-12(2)19(23)26-18-9-8-13(3)21(5)11-15(14(4)20(24)25-6)17(22)10-16(18)21/h7,10-11,13-14,18H,8-9H2,1-6H3/b12-7-/t13-,14?,18+,21+/m0/s1
InChIKey: InChIKey=NYZIXAJGLFVBPK-HZAZCFHUSA-N
Formula: C21H28O5
Molecular Weight: 360.44482
Exact Mass: 360.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Liu, J.X., Wei, X.N., Shi, Y.P. Planta Med (2006) 72, 175-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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 (CH) | 74.4 |
| 2 (CH2) | 32.3 |
| 3 (CH2) | 25.7 |
| 4 (CH) | 41.1 |
| 5 (C) | 43.4 |
| 6 (CH) | 151.7 |
| 7 (C) | 136.6 |
| 8 (C) | 184.8 |
| 9 (CH) | 127.3 |
| 10 (C) | 160.3 |
| 11 (CH) | 37.9 |
| 12 (C) | 174.9 |
| 13 (CH3) | 16.4 |
| 14 (CH3) | 18 |
| 15 (CH3) | 16.1 |
| 1a (C) | 166.6 |
| 1b (C) | 128.2 |
| 1c (CH) | 139.3 |
| 1d (CH3) | 15.8 |
| 1ba (CH3) | 20.7 |
| 12a (CH3) | 52 |
