Spektraris NMR
Caesalpinin ML
Common Name: Caesalpinin ML
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O2/c1-6-13-7-8-14-18(12(13)2)15(21)11-16-19(3,4)17(22)9-10-20(14,16)5/h6-7,12,14-18,21-22H,1,8-11H2,2-5H3/t12-,14-,15-,16-,17-,18-,20+/m0/s1
InChIKey: InChIKey=RCJWLCHBYQFYJT-CGXDTFGQSA-N
Formula: C20H32O2
Molecular Weight: 304.467632
Exact Mass: 304.24023
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 : Cassanes; 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 (CH2) | 37.1 |
| 2 (CH2) | 27.1 |
| 3 (CH) | 78.9 |
| 4 (C) | 38.8 |
| 5 (CH) | 51.3 |
| 6 (CH2) | 31 |
| 7 (CH) | 71.9 |
| 8 (CH) | 42.7 |
| 9 (CH) | 42.2 |
| 10 (C) | 36.6 |
| 11 (CH2) | 25.1 |
| 12 (CH) | 127.9 |
| 13 (C) | 140.8 |
| 14 (CH) | 27.2 |
| 15 (CH) | 138.4 |
| 16 (CH2) | 110.1 |
| 17 (CH3) | 14.1 |
| 18 (CH3) | 28.2 |
| 19 (CH3) | 15.8 |
| 20 (CH3) | 14.1 |
