Spektraris NMR
Caesalpinin J
Common Name: Caesalpinin J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H32O9/c1-12(26)33-20-19-15(11-16-14(8-10-32-16)18(19)22(29)31-6)24(5)17(28)7-9-23(3,4)25(24,30)21(20)34-13(2)27/h8,10,15,18-21,30H,7,9,11H2,1-6H3/t15-,18+,19+,20+,21-,24-,25+/m0/s1
InChIKey: InChIKey=BUWTXIVQINCIKO-ONTAUUTISA-N
Formula: C25H32O9
Molecular Weight: 476.517146
Exact Mass: 476.204633
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Awale, S., Linn, T.Z., Tezuka, Y., Kalauni, S.K., Banskota, A.H., Attamimi, F., Ueda, J.Y., Kadota, S. Chem Pharm Bull (2006) 54, 213-8
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 (C) | 211.5 |
| 2 (CH2) | 35.2 |
| 3 (CH2) | 38.4 |
| 4 (C) | 38.7 |
| 5 (C) | 82.3 |
| 6 (CH) | 74.6 |
| 7 (CH) | 77.2 |
| 8 (CH) | 38.6 |
| 9 (CH) | 37.4 |
| 10 (C) | 55.6 |
| 11 (CH2) | 24 |
| 12 (C) | 151.2 |
| 13 (C) | 112 |
| 14 (CH) | 45.6 |
| 15 (CH) | 108.1 |
| 16 (CH) | 141.4 |
| 17 (C) | 174.3 |
| 18 (CH3) | 28.6 |
| 19 (CH3) | 26.5 |
| 20 (CH3) | 15.4 |
| 6a (C) | 169.4 |
| 6b (CH3) | 21.4 |
| 7a (C) | 170.6 |
| 7b (CH3) | 20.7 |
| 17a (CH3) | 52.1 |
