Spektraris NMR
3β-Angeloyloxy-6β-hydroxyeremophil-1(10)-en-8β,12-olide
Common Name: 3β-Angeloyloxy-6β-hydroxyeremophil-1(10)-en-8β,12-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O5/c1-6-10(2)18(22)24-14-8-7-13-9-15-16(11(3)19(23)25-15)17(21)20(13,5)12(14)4/h6-7,12,14-15,17,21H,8-9H2,1-5H3/b10-6-/t12-,14-,15+,17+,20+/m0/s1
InChIKey: InChIKey=WKZOBKMVDCFETP-NGVPIDNPSA-N
Formula: C20H26O5
Molecular Weight: 346.418202
Exact Mass: 346.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Burgueno-Tapia, E., Lopez-Escobedo, S., Gonzalez-Ledesma, M., Joseph-Nathan, P. Magn Reson Chem (2007) 45, 457-62
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) | 124 |
| 2 (CH2) | 26.9 |
| 3 (CH) | 68.9 |
| 4 (CH) | 34.5 |
| 5 (C) | 47.5 |
| 6 (CH) | 75.1 |
| 7 (C) | 160.3 |
| 8 (CH) | 78.7 |
| 9 (CH2) | 38.7 |
| 10 (C) | 134.4 |
| 11 (C) | 123.7 |
| 12 (C) | 174.6 |
| 13 (CH3) | 9.2 |
| 14 (CH3) | 16 |
| 15 (CH3) | 9.6 |
| 3a (C) | 167.8 |
| 3b (C) | 127.8 |
| 3c (CH) | 138.7 |
| 3d (CH3) | 15.8 |
| 3ba (CH3) | 20.6 |
