Spektraris NMR
Caesalpinin MC
Common Name: Caesalpinin MC
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O6/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/h11,20-21,27H,7-10,12H2,1-6H3/t20-,21+,23+,24-/m1/s1
InChIKey: InChIKey=QGJFJVCCXOJVOE-AWAHEQQVSA-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. 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) | 73.5 |
| 2 (CH2) | 26.9 |
| 3 (CH) | 76.7 |
| 4 (C) | 41.6 |
| 5 (C) | 75.7 |
| 6 (CH2) | 24.4 |
| 7 (CH2) | 23.3 |
| 8 (C) | 125.4 |
| 9 (C) | 142.9 |
| 10 (C) | 46.5 |
| 11 (CH) | 102.1 |
| 12 (C) | 158 |
| 13 (C) | 123.9 |
| 14 (C) | 132.7 |
| 15 (CH2) | 29.2 |
| 16 (CH2) | 70.8 |
| 17 (CH3) | 16.4 |
| 18 (CH3) | 23.1 |
| 19 (CH3) | 25.1 |
| 20 (CH3) | 30.9 |
| 1a (C) | 169.5 |
| 1b (CH3) | 21.1 |
| 3a (C) | 169.6 |
| 3b (CH3) | 21.4 |
