Spektraris NMR
Caesalpinins MJ
Common Name: Caesalpinins MJ
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O6/c1-13-16-8-10-28-18(16)11-17-21(13)19(29-14(2)25)12-24(27)22(4,5)9-7-20(23(17,24)6)30-15(3)26/h8,10,17,19-21,27H,1,7,9,11-12H2,2-6H3/t17-,19-,20-,21-,23-,24+/m0/s1
InChIKey: InChIKey=VBDNBIGLCTYMIY-GXUCJCDRSA-N
Formula: C24H32O6
Molecular Weight: 416.508195
Exact Mass: 416.219889
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) | 75.5 |
| 2 (CH2) | 22.5 |
| 3 (CH2) | 29.9 |
| 4 (C) | 38.4 |
| 5 (C) | 77.8 |
| 6 (CH2) | 31.4 |
| 7 (CH) | 72 |
| 8 (CH) | 41 |
| 9 (CH) | 38.6 |
| 10 (C) | 43.1 |
| 11 (CH2) | 23 |
| 12 (C) | 150.8 |
| 13 (C) | 119.7 |
| 14 (C) | 139.4 |
| 15 (CH) | 106.6 |
| 16 (CH) | 141.8 |
| 17 (CH2) | 105.6 |
| 18 (CH3) | 28.2 |
| 19 (CH3) | 25.5 |
| 20 (CH3) | 17.7 |
| 1a (C) | 169.1 |
| 1b (CH3) | 21.5 |
| 7a (C) | 170.4 |
| 7b (CH3) | 21.5 |
