Spektraris NMR
Caesalpinin MH
Common Name: Caesalpinin MH
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O9/c1-11(25)32-16-6-8-22(3,4)24(30)20(33-12(2)26)19(27)18-14(23(16,24)5)10-15-13(7-9-31-15)17(18)21(28)29/h7,9,14,16-20,27,30H,6,8,10H2,1-5H3,(H,28,29)/t14-,16-,17+,18+,19+,20-,23-,24+/m0/s1
InChIKey: InChIKey=YBEGCLLDMDCPFH-WXRFRXGMSA-N
Formula: C24H32O9
Molecular Weight: 464.50641
Exact Mass: 464.204633
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) | 75.8 |
| 2 (CH2) | 22.1 |
| 3 (CH2) | 32.2 |
| 4 (C) | 38.6 |
| 5 (C) | 79.5 |
| 6 (CH) | 77 |
| 7 (CH) | 76.8 |
| 8 (CH) | 41.2 |
| 9 (CH) | 35.8 |
| 10 (C) | 45.2 |
| 11 (CH2) | 21.4 |
| 12 (C) | 150 |
| 13 (C) | 113.5 |
| 14 (CH) | 45.7 |
| 15 (CH) | 108.8 |
| 16 (CH) | 141.5 |
| 17 (C) | 177.9 |
| 18 (CH3) | 30.6 |
| 19 (CH3) | 24.7 |
| 20 (CH3) | 16.9 |
| 1a (C) | 169 |
| 1b (CH3) | 21.4 |
| 6a (C) | 172.7 |
| 6b (CH3) | 22.2 |
