Spektraris NMR
Caesalpinin MG
Common Name: Caesalpinin MG
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H36O10/c1-13(28)35-19-8-10-25(4,5)27(32)23(37-15(3)30)22(36-14(2)29)21-17(26(19,27)6)12-18-16(9-11-34-18)20(21)24(31)33-7/h9,11,17,19-23,32H,8,10,12H2,1-7H3/t17-,19-,20+,21+,22+,23-,26-,27+/m0/s1
InChIKey: InChIKey=LGYIHMCGHGMMHL-IMZNVZOKSA-N
Formula: C27H36O10
Molecular Weight: 520.569786
Exact Mass: 520.230847
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) | 22.2 |
| 3 (CH2) | 32.3 |
| 4 (C) | 38.6 |
| 5 (C) | 79.5 |
| 6 (CH) | 74.1 |
| 7 (CH) | 74.1 |
| 8 (CH) | 38.4 |
| 9 (CH) | 36 |
| 10 (C) | 45.1 |
| 11 (CH2) | 21.4 |
| 12 (C) | 149.6 |
| 13 (C) | 113.3 |
| 14 (CH) | 45.6 |
| 15 (CH) | 108.3 |
| 16 (CH) | 141.8 |
| 17 (C) | 174 |
| 18 (CH3) | 29.7 |
| 19 (CH3) | 24.5 |
| 20 (CH3) | 17 |
| 1a (C) | 169 |
| 1b (CH3) | 20.8 |
| 6a (C) | 170.3 |
| 6b (CH3) | 21.5 |
| 7a (C) | 170.2 |
| 7b (CH3) | 21.5 |
| 17a (CH3) | 52.1 |
