Spektraris NMR
Kanokoside A
Common Name: Kanokoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O12/c1-8(2)3-11(24)32-19-13-12(17-18(33-17)21(13,28)7-23)9(5-29-19)6-30-20-16(27)15(26)14(25)10(4-22)31-20/h5,8,10,12-20,22-23,25-28H,3-4,6-7H2,1-2H3/t10-,12-,13-,14-,15+,16-,17+,18+,19+,20-,21-/m1/s1
InChIKey: InChIKey=CHSDMOZSQFIUGK-MZHNZBIYSA-N
Formula: C21H32O12
Molecular Weight: 476.472417
Exact Mass: 476.189376
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kuruuzum-Uz A., Guvenalp Z., Omur Demirezer L., Bergere I., Stroch K., Zeeck A. Phytochemistry (2002) 61, 937-41
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Iridoids; 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) | 90.6 |
| 3 (CH) | 142.6 |
| 4 (C) | 109.2 |
| 5 (CH) | 35.4 |
| 6 (CH) | 59.7 |
| 7 (CH) | 60.2 |
| 8 (C) | 80.1 |
| 9 (CH) | 43.4 |
| 10 (CH2) | 67 |
| 11 (CH2) | 69.5 |
| 1' (CH) | 102.1 |
| 2' (CH) | 75.1 |
| 3' (CH) | 78.2 |
| 4' (CH) | 71.8 |
| 5' (CH) | 78 |
| 6' (CH2) | 62.9 |
| 1a (C) | 173 |
| 1b (CH2) | 44.1 |
| 1c (CH) | 26.8 |
| 1d (CH3) | 22.6 |
| 1e (CH3) | 22.6 |
