Spektraris NMR
Caesalpinin ME
Common Name: Caesalpinin ME
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O6/c1-6-15-7-8-16-21-17(30-22(27)20(15)21)11-18-23(16,4)10-9-19(29-14(3)26)24(18,5)12-28-13(2)25/h6-7,16-21H,1,8-12H2,2-5H3/t16-,17-,18+,19-,20+,21-,23+,24-/m0/s1
InChIKey: InChIKey=FJWOPFBTCFJPQR-SOGAUHHASA-N
Formula: C24H32O6
Molecular Weight: 416.508195
Exact Mass: 416.219889
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kalauni, S.K., Awale, S., Tezuka, Y., Banskota, A.H., Linn, T.Z., Kadota, S. J Nat Prod (2004) 67, 1859-63
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cassanes; 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 (CH2) | 35.7 |
| 2 (CH2) | 22.7 |
| 3 (CH) | 73.8 |
| 4 (C) | 41 |
| 5 (CH) | 45.5 |
| 6 (CH2) | 25.6 |
| 7 (CH) | 81.8 |
| 8 (CH) | 46.6 |
| 9 (CH) | 44.2 |
| 10 (C) | 37.4 |
| 11 (CH2) | 24.4 |
| 12 (CH) | 129.4 |
| 13 (C) | 133 |
| 14 (CH) | 43.8 |
| 15 (CH) | 134.6 |
| 16 (CH2) | 115.1 |
| 17 (C) | 173.6 |
| 18 (CH2) | 65 |
| 19 (CH3) | 14 |
| 20 (CH3) | 14.8 |
| 3a (C) | 170.5 |
| 3b (CH3) | 20.9 |
| 18a (C) | 170.6 |
| 18b (CH3) | 21.1 |
