Spektraris NMR
(4E)-Jatrogrossidentadione acetate
Common Name: (4E)-Jatrogrossidentadione acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O5/c1-12-9-16-15(20(16,4)5)7-8-21(6,27-14(3)23)11-17-18(24)13(2)10-22(17,26)19(12)25/h10-12,15-16,26H,7-9H2,1-6H3/b17-11-/t12-,15+,16-,21-,22-/m1/s1
InChIKey: InChIKey=XSYOQHXPCXHECP-BQYHMZKRSA-N
Formula: C22H30O5
Molecular Weight: 374.471437
Exact Mass: 374.209324
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Das, B., Ravinkanth, B., Reddy, K.R., Thirupathi, P., Raju, T.V., Sridhar, B. Phytochemistry (2008) 69, 2639-41
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Lathyranes; 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) | 151 |
| 2 (C) | 145.3 |
| 3 (C) | 195.4 |
| 4 (C) | 132 |
| 5 (CH) | 145.8 |
| 6 (C) | 84.4 |
| 7 (CH2) | 36.9 |
| 8 (CH2) | 18.1 |
| 9 (CH) | 27.1 |
| 10 (C) | 17.5 |
| 11 (CH) | 20.1 |
| 12 (CH2) | 29.5 |
| 13 (CH) | 43.6 |
| 14 (C) | 212 |
| 15 (C) | 85.3 |
| 16 (CH3) | 10.7 |
| 17 (CH3) | 23.7 |
| 18 (CH3) | 29 |
| 19 (CH3) | 14.9 |
| 20 (CH3) | 16.5 |
| 6a (C) | 170.1 |
| 6b (CH3) | 22.1 |
