Spektraris NMR
Caesalpinin K
Common Name: Caesalpinin K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O5/c1-12-14-7-9-26-17(14)10-15-19(12)16(24)11-22(25)20(3,4)8-6-18(21(15,22)5)27-13(2)23/h7,9,12,15-16,18-19,24-25H,6,8,10-11H2,1-5H3/t12-,15-,16-,18-,19-,21-,22+/m0/s1
InChIKey: InChIKey=UAUZSKBZFMNDSP-SBCRORLOSA-N
Formula: C22H32O5
Molecular Weight: 376.487318
Exact Mass: 376.224974
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Awale, S., Linn, T.Z., Tezuka, Y., Kalauni, S.K., Banskota, A.H., Attamimi, F., Ueda, J.Y., Kadota, S. Chem Pharm Bull (2006) 54, 213-8
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) | 75.9 |
| 2 (CH2) | 22.5 |
| 3 (CH2) | 30 |
| 4 (C) | 38.5 |
| 5 (C) | 78.6 |
| 6 (CH2) | 35.4 |
| 7 (CH) | 67.8 |
| 8 (CH) | 42.6 |
| 9 (CH) | 31.9 |
| 10 (C) | 43.5 |
| 11 (CH2) | 22 |
| 12 (C) | 148.4 |
| 13 (C) | 122.2 |
| 14 (CH) | 27.4 |
| 15 (CH) | 109.8 |
| 16 (CH) | 140.8 |
| 17 (CH3) | 17.1 |
| 18 (CH3) | 28.1 |
| 19 (CH3) | 25.2 |
| 20 (CH3) | 17.8 |
| 1a (C) | 169 |
| 1b (CH3) | 21.5 |
