Spektraris NMR
Caesalpinin P
Common Name: Caesalpinin P
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O6/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/h8,10,16,18,20-21,27H,1,7,9,11-12H2,2-6H3/t16-,18-,20-,21-,23-,24+/m0/s1
InChIKey: InChIKey=JOJBHDMLFDFDDO-JLTPAFMDSA-N
Formula: C24H32O6
Molecular Weight: 416.508195
Exact Mass: 416.219889
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 (CH) | 74.8 |
| 2 (CH) | 67.5 |
| 3 (CH2) | 35.8 |
| 4 (C) | 40.2 |
| 5 (C) | 77.2 |
| 6 (CH2) | 25.6 |
| 7 (CH2) | 23.6 |
| 8 (CH) | 35 |
| 9 (CH) | 39.2 |
| 10 (C) | 45.1 |
| 11 (CH2) | 22.5 |
| 12 (C) | 151.3 |
| 13 (C) | 119 |
| 14 (C) | 142.5 |
| 15 (CH) | 106.2 |
| 16 (CH) | 141.7 |
| 17 (CH2) | 104.4 |
| 18 (CH3) | 28.2 |
| 19 (CH3) | 26 |
| 20 (CH3) | 17.5 |
| 1a (C) | 169.2 |
| 1b (CH3) | 21.6 |
| 2a (C) | 170.4 |
| 2b (CH3) | 21 |
