Spektraris NMR
Caesalpinin MF
Common Name: Caesalpinin MF
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H34O8/c1-13(26)32-19-12-20(33-14(2)27)24(5)17-11-18-16(8-10-31-18)21(22(28)30-6)15(17)7-9-25(24,29)23(19,3)4/h8,10,15,17,19-21,29H,7,9,11-12H2,1-6H3/t15-,17+,19-,20+,21+,24+,25-/m1/s1
InChIKey: InChIKey=XAZRHSRSLHQJLN-WWMMLYPOSA-N
Formula: C25H34O8
Molecular Weight: 462.533622
Exact Mass: 462.225368
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, 214-8
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) | 73.7 |
| 2 (CH2) | 26.5 |
| 3 (CH) | 76.9 |
| 4 (C) | 41.6 |
| 5 (C) | 76.8 |
| 6 (CH2) | 26.4 |
| 7 (CH2) | 26.1 |
| 8 (CH) | 34.5 |
| 9 (CH) | 37.1 |
| 10 (C) | 43.8 |
| 11 (CH2) | 21.6 |
| 12 (C) | 150.7 |
| 13 (C) | 113.9 |
| 14 (CH) | 49.2 |
| 15 (CH) | 108.8 |
| 16 (CH) | 141.1 |
| 17 (C) | 174.5 |
| 18 (CH3) | 25.4 |
| 19 (CH3) | 23.1 |
| 20 (CH3) | 17.9 |
| 1a (C) | 169.3 |
| 1b (CH3) | 21.2 |
| 3a (C) | 169.3 |
| 3b (CH3) | 21.4 |
| 17a (CH3) | 52 |
