Spektraris NMR
Magnicaesalpin
Common Name: Magnicaesalpin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O11/c1-12(27)34-17-8-9-22(4,5)26(33)21(36-14(3)29)20(35-13(2)28)19-15(23(17,26)6)10-16(30)25(32)11-18(31)37-24(19,25)7/h15,17,19-21,32-33H,8-11H2,1-7H3/t15-,17-,19-,20+,21-,23-,24-,25-,26+/m0/s1
InChIKey: InChIKey=BCDPLQQNDGWESB-WABGMBTCSA-N
Formula: C26H36O11
Molecular Weight: 524.558455
Exact Mass: 524.225762
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yin, Y.H., Ma, L., Hu, L.H. Helv Chim Acta (2008) 91, 972-7
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 (CH) | 74.3 |
| 2 (CH2) | 22.2 |
| 3 (CH2) | 32 |
| 4 (C) | 38.3 |
| 5 (C) | 79 |
| 6 (CH) | 74.6 |
| 7 (CH) | 71 |
| 8 (CH) | 47.5 |
| 9 (CH) | 35.6 |
| 10 (C) | 44.7 |
| 11 (CH2) | 36.1 |
| 12 (C) | 206 |
| 13 (C) | 93.9 |
| 14 (C) | 83.1 |
| 15 (CH2) | 42.7 |
| 16 (C) | 171.6 |
| 17 (CH3) | 12.8 |
| 18 (CH3) | 24.4 |
| 19 (CH3) | 30.2 |
| 20 (CH3) | 16.7 |
| 1a (C) | 169 |
| 1b (CH3) | 21 |
| 6a (C) | 170 |
| 6b (CH3) | 21 |
| 7a (C) | 170.4 |
| 7b (CH3) | 21.4 |
