Spektraris NMR
3b-Angeloyloxy-8-oxoeremophila-6.9-dien-12-oic acid ethyl ester
Common Name: 3b-Angeloyloxy-8-oxoeremophila-6.9-dien-12-oic acid ethyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O5/c1-7-13(3)20(24)27-19-10-9-16-11-18(23)17(12-22(16,6)15(19)5)14(4)21(25)26-8-2/h7,11-12,14-15,19H,8-10H2,1-6H3/b13-7-/t14?,15-,19-,22+/m0/s1
InChIKey: InChIKey=CAVSDSCMWYRGTA-ZJDXGQDUSA-N
Formula: C22H30O5
Molecular Weight: 374.471437
Exact Mass: 374.209324
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mao, M., Yang, Z., Jia, Z. Planta Med (2003) 69, 745-9
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 (CH2) | 28 |
| 2 (CH2) | 32.8 |
| 3 (CH) | 72.4 |
| 4 (CH) | 42.9 |
| 5 (C) | 43.1 |
| 6 (CH) | 150 |
| 7 (C) | 136.8 |
| 8 (C) | 184.5 |
| 9 (CH) | 124.3 |
| 10 (C) | 166.9 |
| 11 (CH) | 38 |
| 12 (C) | 174.5 |
| 13 (CH3) | 16.4 |
| 14 (CH3) | 20.9 |
| 15 (CH3) | 12.4 |
| 3a (C) | 167.2 |
| 3b (C) | 127.4 |
| 3c (CH) | 139.3 |
| 3d (CH3) | 15.7 |
| 3ba (CH3) | 20.2 |
| 12a (CH2) | 60.6 |
| 12b (CH3) | 14.1 |
