Spektraris NMR
Caesalpinin MA
Common Name: Caesalpinin MA
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H34O6/c1-13-16-7-9-24(27)22(4,5)20(29-14(2)25)12-21(30-15(3)26)23(24,6)18(16)11-19-17(13)8-10-28-19/h8,10,13,16,18,20-21,27H,7,9,11-12H2,1-6H3/t13-,16+,18+,20-,21+,23+,24-/m1/s1
InChIKey: InChIKey=IQFCUFCOJGKNJF-CNGGKPCVSA-N
Formula: C24H34O6
Molecular Weight: 418.524077
Exact Mass: 418.235539
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kalauni, S.K., Awale, S., Tezuka, Y., Banskota, A.H., Linn, T.Z., Kadota, S. J Nat Prod (2004) 67, 1859-63
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 (CH2) | 26.4 |
| 3 (CH) | 77.2 |
| 4 (C) | 41.6 |
| 5 (C) | 77 |
| 6 (CH2) | 26.5 |
| 7 (CH2) | 23.7 |
| 8 (CH) | 34.4 |
| 9 (CH) | 32.4 |
| 10 (C) | 43.8 |
| 11 (CH2) | 21.8 |
| 12 (C) | 148.7 |
| 13 (C) | 122.8 |
| 14 (CH) | 31.4 |
| 15 (CH) | 109.6 |
| 16 (CH) | 140.6 |
| 17 (CH3) | 17.4 |
| 18 (CH3) | 23.2 |
| 19 (CH3) | 25.5 |
| 20 (CH3) | 17.9 |
| 1a (C) | 169.3 |
| 1b (CH3) | 21.2 |
| 3a (C) | 169.3 |
| 3b (CH3) | 21.4 |
