Spektraris NMR
Caesalpinin MI
Common Name: Caesalpinin MI
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-12-13-6-9-23-16(13)10-14-17(12)15(21)11-20(22)18(2,3)7-5-8-19(14,20)4/h6,9,12,14-15,17,21-22H,5,7-8,10-11H2,1-4H3/t12-,14-,15-,17-,19+,20+/m0/s1
InChIKey: InChIKey=ZSFVRSNKAULQMO-VDHPAURBSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
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 (CH2) | 32.3 |
| 2 (CH2) | 18 |
| 3 (CH2) | 35.8 |
| 4 (C) | 38.4 |
| 5 (C) | 78.2 |
| 6 (CH2) | 35.3 |
| 7 (CH) | 68.2 |
| 8 (CH) | 42.9 |
| 9 (CH) | 36.9 |
| 10 (C) | 41 |
| 11 (CH2) | 22.3 |
| 12 (C) | 149.4 |
| 13 (C) | 121.9 |
| 14 (CH) | 27.4 |
| 15 (CH) | 109.7 |
| 16 (CH) | 140.5 |
| 17 (CH3) | 17.1 |
| 18 (CH3) | 27.9 |
| 19 (CH3) | 24.7 |
| 20 (CH3) | 17.4 |
