Spektraris NMR
3-(angeloyloxy)-1,10-epoxy-6,8-dihydroxyeremophil-7(11)-en-8,12 -olide
Common Name: 3-(angeloyloxy)-1,10-epoxy-6,8-dihydroxyeremophil-7(11)-en-8,12 -olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O7/c1-6-9(2)16(22)25-12-7-13-19(26-13)8-20(24)14(10(3)17(23)27-20)15(21)18(19,5)11(12)4/h6,11-13,15,21,24H,7-8H2,1-5H3/b9-6+/t11-,12-,13+,15+,18-,19+,20-/m0/s1
InChIKey: InChIKey=ANNQAWOBMZQOSM-OYMBHINLSA-N
Formula: C20H26O7
Molecular Weight: 378.417012
Exact Mass: 378.167853
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) | 25.1 |
| 3 (CH) | 68.3 |
| 4 (CH) | 33.6 |
| 5 (C) | 45.9 |
| 6 (CH) | 70.9 |
| 7 (C) | 158.1 |
| 8 (C) | 101.4 |
| 9 (CH2) | 42.3 |
| 10 (C) | 61 |
| 11 (C) | 125.3 |
| 12 (C) | 172.3 |
| 13 (CH3) | 8.6 |
| 14 (CH3) | 14.2 |
| 15 (CH3) | 9.5 |
| 3a (C) | 168.4 |
| 3b (C) | 127.4 |
| 3c (CH) | 139.9 |
| 3d (CH3) | 20.5 |
| 3e (CH3) | 16 |
