Spektraris NMR
Caesalmin A
Common Name: Caesalmin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O8/c1-9(23)29-18-16-15-11(7-13-10(5-6-28-13)14(15)19(26)30-16)21(4)17(25)12(24)8-20(2,3)22(18,21)27/h5-6,11-12,14-18,24-25,27H,7-8H2,1-4H3/t11-,12-,14+,15+,16+,17-,18-,21-,22+/m0/s1
InChIKey: InChIKey=PNGGBDIIVKKALA-ZLDHLQCDSA-N
Formula: C22H28O8
Molecular Weight: 420.45377
Exact Mass: 420.178418
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Jiang, R.W., But, P.P., Ma, S.C., Mak, T.C. Phytochemistry (2001) 57, 517-21
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) | 73.7 |
| 2 (CH) | 64.92 |
| 3 (CH2) | 41.07 |
| 4 (C) | 41.34 |
| 5 (C) | 83.91 |
| 6 (CH) | 75.46 |
| 7 (CH) | 83.49 |
| 8 (CH) | 44.69 |
| 9 (CH) | 32.94 |
| 10 (C) | 44.78 |
| 11 (CH2) | 21.15 |
| 12 (C) | 152.74 |
| 13 (C) | 114.18 |
| 14 (CH) | 41.44 |
| 15 (CH) | 107.69 |
| 16 (CH) | 142.1 |
| 17 (C) | 175.13 |
| 18 (CH3) | 30.6 |
| 19 (CH3) | 24.86 |
| 20 (CH3) | 15.53 |
| 6a (C) | 170.79 |
| 6b (CH3) | 20.67 |
