Spektraris NMR
4b-Hydroxy-4,5-dihydro-5,6-dehydrovernonallenolide
Common Name: 4b-Hydroxy-4,5-dihydro-5,6-dehydrovernonallenolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H22O7/c1-11-6-5-7-19(4,23)9-16-17(15(8-11)25-13(3)21)14(18(22)26-16)10-24-12(2)20/h5,9,15,23H,7-8,10H2,1-4H3/b16-9+/t6?,15-,19+/m0/s1
InChIKey: InChIKey=OXKYGINWPZEFDZ-UAEZAUSISA-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) | 200.2 |
| 2 (CH) | 87.8 |
| 3 (CH2) | 40.7 |
| 4 (C) | 73.7 |
| 5 (CH) | 131 |
| 6 (C) | 146.4 |
| 7 (C) | 152.4 |
| 8 (CH) | 68.1 |
| 9 (CH2) | 37.7 |
| 10 (C) | 94.5 |
| 11 (C) | 128.2 |
| 12 (C) | 169.3 |
| 13 (CH2) | 55.6 |
| 14 (CH3) | 19.5 |
| 15 (CH3) | 27.3 |
| 8a (C) | 169.3 |
| 8b (CH3) | 20.3 |
| 13a (C) | 170.1 |
| 13b (CH3) | 20.6 |
