Spektraris NMR
4a,5b-Epoxy-4,5-dihydrovernonallenolide
Common Name: 4a,5b-Epoxy-4,5-dihydrovernonallenolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H22O7/c1-10-6-5-7-19(4)17(26-19)16-15(14(8-10)24-12(3)21)13(18(22)25-16)9-23-11(2)20/h5,14,16-17H,7-9H2,1-4H3/t6?,14-,16+,17+,19+/m0/s1
InChIKey: InChIKey=UBDCEHVNDSHEAP-ZOJUGNSHSA-N
Formula: C19H22O7
Molecular Weight: 362.374513
Exact Mass: 362.136553
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bohlmann, F., Jakupovic, J., Gupta, R.K., King, R.M., Robinson, H. Phytochemistry (1981) 20, 473
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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 (C) | 204 |
| 2 (CH) | 88.5 |
| 3 (CH2) | 35.2 |
| 4 (C) | 61.6 |
| 5 (CH) | 61.2 |
| 6 (CH) | 82.8 |
| 7 (C) | 163.5 |
| 8 (CH) | 67.5 |
| 9 (CH2) | 36.5 |
| 10 (C) | 95.3 |
| 11 (C) | 127.5 |
| 12 (C) | 171.1 |
| 13 (CH2) | 55 |
| 14 (CH3) | 18.2 |
| 15 (CH3) | 21.3 |
| 8a (C) | 169.3 |
| 8b (CH3) | 20.3 |
| 13a (C) | 170.1 |
| 13b (CH3) | 20.6 |
