Spektraris NMR
14-Deoxy-e-caesalpin
Common Name: 14-Deoxy-e-caesalpin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H34O6/c1-13-16-7-9-24(27)22(4,5)12-20(29-14(2)25)21(30-15(3)26)23(24,6)18(16)11-19-17(13)8-10-28-19/h8,10,13,16,18,20-21,27H,7,9,11-12H2,1-6H3/t13-,16+,18+,20+,21+,23+,24-/m1/s1
InChIKey: InChIKey=JMOFRLILFOJJEZ-ZWZFWQKWSA-N
Formula: C24H34O6
Molecular Weight: 418.524077
Exact Mass: 418.235539
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Roengsumran, S., Limsuwankesorn, S., Ngamrojnavanich, N., Petsom, A., Chaichantipyuth, C., Ishikawa, T. Phytochemistry (2000) 53, 841-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Vouacapanes; 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) | 75 |
| 2 (CH) | 67.5 |
| 3 (CH2) | 35.8 |
| 4 (C) | 40.3 |
| 5 (C) | 76.8 |
| 6 (CH2) | 25.6 |
| 7 (CH2) | 23.9 |
| 8 (CH) | 34.3 |
| 9 (CH) | 32.7 |
| 10 (C) | 44.9 |
| 11 (CH2) | 22.1 |
| 12 (C) | 148.6 |
| 13 (C) | 122.6 |
| 14 (CH) | 31.3 |
| 15 (CH) | 109.5 |
| 16 (CH) | 140.6 |
| 17 (CH3) | 17.4 |
| 18 (CH3) | 28.2 |
| 19 (CH3) | 26 |
| 20 (CH3) | 17.4 |
| 1a (C) | 169 |
| 1b (CH3) | 20.9 |
| 2a (C) | 170.3 |
| 2b (CH3) | 21.1 |
