Spektraris NMR
3-Angeloyloxy-6b-ethoxy-8,10b-dihydroxyeremophilenolide
Common Name: 3-Angeloyloxy-6b-ethoxy-8,10b-dihydroxyeremophilenolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O7/c1-7-12(3)18(23)28-15-9-10-21(25)11-22(26)16(13(4)19(24)29-22)17(27-8-2)20(21,6)14(15)5/h7,14-15,17,25-26H,8-11H2,1-6H3/b12-7-/t14-,15-,17+,20-,21-,22-/m0/s1
InChIKey: InChIKey=TWSRLCCYGOXTJW-CDWQOIBJSA-N
Formula: C22H32O7
Molecular Weight: 408.486128
Exact Mass: 408.214803
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) | 30 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 71.9 |
| 4 (CH) | 36.5 |
| 5 (C) | 47.2 |
| 6 (CH) | 77.9 |
| 7 (C) | 153.7 |
| 8 (C) | 103.7 |
| 9 (CH2) | 44.5 |
| 10 (C) | 74.7 |
| 11 (C) | 128.9 |
| 12 (C) | 170.3 |
| 13 (CH3) | 8.7 |
| 14 (CH3) | 13.1 |
| 15 (CH3) | 12.5 |
| 3a (C) | 167.1 |
| 3b (C) | 127.5 |
| 3c (CH) | 139 |
| 3d (CH3) | 15.7 |
| 3ba (CH3) | 20.8 |
| 6a (CH2) | 65.8 |
| 6b (CH3) | 14.9 |
