Spektraris NMR
6-acetoxy-3-(angeloyloxy)-1,10-epoxy-8-hydroxyeremophil-7(11)-en-8,12 -olide
Common Name: 6-acetoxy-3-(angeloyloxy)-1,10-epoxy-8-hydroxyeremophil-7(11)-en-8,12 -olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O8/c1-7-10(2)18(24)28-14-8-15-21(29-15)9-22(26)16(11(3)19(25)30-22)17(27-13(5)23)20(21,6)12(14)4/h7,12,14-15,17,26H,8-9H2,1-6H3/b10-7+/t12-,14-,15+,17+,20-,21+,22-/m0/s1
InChIKey: InChIKey=PWJUIFHLEYIAEJ-UYJUOCPHSA-N
Formula: C22H28O8
Molecular Weight: 420.45377
Exact Mass: 420.178418
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, L., Xu, L.W., Wang, H.Q. Helv Chim Acta (2004) 87, 1125-9
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) | 60.4 |
| 2 (CH2) | 42.4 |
| 3 (CH) | 67.5 |
| 4 (CH) | 33.7 |
| 5 (C) | 44.4 |
| 6 (CH) | 72.3 |
| 7 (C) | 154.8 |
| 8 (C) | 101.2 |
| 9 (CH2) | 24.9 |
| 10 (C) | 60.8 |
| 11 (C) | 124.5 |
| 12 (C) | 171.1 |
| 13 (CH3) | 7.9 |
| 14 (CH3) | 15.2 |
| 15 (CH3) | 9.4 |
| 3a (C) | 167.1 |
| 3b (C) | 127.7 |
| 3c (CH) | 138.4 |
| 3d (CH3) | 20.5 |
| 3e (CH3) | 15.8 |
| 6a (C) | 170.9 |
| 6b (CH3) | 20.6 |
