Spektraris NMR
Caesalpinolide A
Common Name: Caesalpinolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O6/c1-12(23)27-15-9-13-14(20(4)8-6-7-19(2,3)18(15)20)11-22(26)16(21(13,5)25)10-17(24)28-22/h10,13-15,18,25-26H,6-9,11H2,1-5H3/t13-,14+,15-,18+,20-,21+,22-/m1/s1
InChIKey: InChIKey=WIHSWORKGXEYFX-BHEDWDJCSA-N
Formula: C22H32O6
Molecular Weight: 392.486723
Exact Mass: 392.219889
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yadav, P.P., Arora, A., Bid, H.K., Konwar, R.R., Kanojiya, S. Tetrahedron Lett (2007) 48, 7194-8
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) | 42.5 |
| 2 (CH2) | 19.6 |
| 3 (CH2) | 44.2 |
| 4 (C) | 34.4 |
| 5 (CH) | 55.7 |
| 6 (CH) | 69.8 |
| 7 (CH2) | 32.7 |
| 8 (CH) | 45.3 |
| 9 (CH) | 48.2 |
| 10 (C) | 38.7 |
| 11 (CH2) | 39.6 |
| 12 (C) | 107 |
| 13 (C) | 179.1 |
| 14 (C) | 74 |
| 15 (CH) | 113.3 |
| 16 (C) | 171.3 |
| 17 (CH3) | 22.2 |
| 18 (CH3) | 34.1 |
| 19 (CH3) | 24 |
| 20 (CH3) | 17.8 |
| 6a (C) | 170.6 |
| 6b (CH3) | 21.8 |
