Spektraris NMR
4'-Deoxykanokoside A
Common Name: 4'-Deoxykanokoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O11/c1-9(2)3-13(25)31-19-15-14(17-18(32-17)21(15,27)8-23)10(6-28-19)7-29-20-16(26)12(24)4-11(5-22)30-20/h6,9,11-12,14-20,22-24,26-27H,3-5,7-8H2,1-2H3/t11-,12-,14+,15+,16+,17-,18-,19-,20+,21+/m0/s1
InChIKey: InChIKey=MVGRLUFDUYUKBV-DSXUAXRVSA-N
Formula: C21H32O11
Molecular Weight: 460.473012
Exact Mass: 460.194462
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) | 90.5 |
| 3 (CH) | 142.5 |
| 4 (C) | 109.3 |
| 5 (CH) | 35.4 |
| 6 (CH) | 59.7 |
| 7 (CH) | 60.1 |
| 8 (C) | 80.1 |
| 9 (CH) | 43.4 |
| 10 (CH2) | 67 |
| 11 (CH2) | 69.5 |
| 1' (CH) | 102.5 |
| 2' (CH) | 76.9 |
| 3' (CH) | 72.3 |
| 4' (CH2) | 36.5 |
| 5' (CH) | 73.9 |
| 6' (CH2) | 65.6 |
| 1a (C) | 173 |
| 1b (CH2) | 44.1 |
| 1c (CH) | 26.8 |
| 1d (CH3) | 22.6 |
| 1e (CH3) | 22.6 |
