Spektraris NMR
Caesalpinin MP
Common Name: Caesalpinin MP
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O4/c1-13-15-6-10-22(24)20(3,4)9-7-19(26-14(2)23)21(22,5)17(15)12-18-16(13)8-11-25-18/h8,11-12,19,24H,6-7,9-10H2,1-5H3/t19-,21-,22+/m0/s1
InChIKey: InChIKey=HXWQDWYRBCPQLK-ILWGZMRPSA-N
Formula: C22H28O4
Molecular Weight: 356.456151
Exact Mass: 356.198759
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, 1300-4
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) | 75.6 |
| 2 (CH2) | 23 |
| 3 (CH2) | 30.6 |
| 4 (C) | 38.4 |
| 5 (C) | 75.9 |
| 6 (CH2) | 24 |
| 7 (CH2) | 23.7 |
| 8 (C) | 128.4 |
| 9 (C) | 140.2 |
| 10 (C) | 46.8 |
| 11 (CH) | 104.1 |
| 12 (C) | 153.5 |
| 13 (C) | 125.5 |
| 14 (C) | 128.5 |
| 15 (CH) | 104.9 |
| 16 (CH) | 144.2 |
| 17 (CH3) | 15.9 |
| 18 (CH3) | 27.9 |
| 19 (CH3) | 25 |
| 20 (CH3) | 30.7 |
| 1a (C) | 169.6 |
| 1b (CH3) | 21.4 |
