Spektraris NMR
Caesalpinin MM
Common Name: Caesalpinin MM
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H34O9/c1-12-10-19(32-13(2)27)23(5)17-11-18-16(8-9-31-18)24(6,30)20(17)21(33-14(3)28)22(34-15(4)29)26(23)25(12,7)35-26/h8-9,12,17,19-22,30H,10-11H2,1-7H3/t12-,17-,19-,20-,21+,22-,23-,24-,25+,26-/m0/s1
InChIKey: InChIKey=XFBKUWVLEJBLBR-CZBLUUTQSA-N
Formula: C26H34O9
Molecular Weight: 490.543763
Exact Mass: 490.220283
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kalauni, S.K., Awale, S., Tezuka, Y., Banskota, A.H., Linn, T.Z., Kadota, S. Chem Pharm Bull (2005) 53, 1300-4
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) | 74.2 |
| 2 (CH2) | 27.2 |
| 3 (CH) | 31.9 |
| 4 (C) | 64.5 |
| 5 (C) | 67.9 |
| 6 (CH) | 69.7 |
| 7 (CH) | 73.4 |
| 8 (CH) | 47.1 |
| 9 (CH) | 33.8 |
| 10 (C) | 40.7 |
| 11 (CH2) | 22.5 |
| 12 (C) | 149.3 |
| 13 (C) | 123 |
| 14 (C) | 68.5 |
| 15 (CH) | 107.7 |
| 16 (CH) | 141.6 |
| 17 (CH3) | 29.4 |
| 18 (CH3) | 20.6 |
| 19 (CH3) | 17.1 |
| 20 (CH3) | 19.7 |
| 1a (C) | 170.9 |
| 1b (CH3) | 21.5 |
| 6a (C) | 170.4 |
| 6b (CH3) | 21.3 |
| 7a (C) | 170.8 |
| 7b (CH3) | 21.5 |
