Spektraris NMR
Kanokoside C
Common Name: Kanokoside C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H42O17/c1-9(2)3-13(30)43-24-15-14(22-23(44-22)27(15,37)8-29)10(5-38-24)6-39-25-21(36)19(34)17(32)12(42-25)7-40-26-20(35)18(33)16(31)11(4-28)41-26/h5,9,11-12,14-26,28-29,31-37H,3-4,6-8H2,1-2H3/t11-,12-,14-,15-,16-,17-,18+,19+,20-,21-,22+,23+,24+,25-,26-,27-/m1/s1
InChIKey: InChIKey=ZTHFWSGQXKJHJD-WWSDMLAVSA-N
Formula: C27H42O17
Molecular Weight: 638.613265
Exact Mass: 638.2422
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) | 142.8 |
| 4 (C) | 109.1 |
| 5 (CH) | 35.4 |
| 6 (CH) | 59.7 |
| 7 (CH) | 60.2 |
| 8 (C) | 80.1 |
| 9 (CH) | 43.3 |
| 10 (CH2) | 67 |
| 11 (CH2) | 69.6 |
| 1' (CH) | 102 |
| 2' (CH) | 75 |
| 3' (CH) | 78 |
| 4' (CH) | 71.6 |
| 5' (CH) | 77 |
| 6' (CH2) | 70.1 |
| 1'' (CH) | 105 |
| 2'' (CH) | 75.1 |
| 3'' (CH) | 78 |
| 4'' (CH) | 71.7 |
| 5'' (CH) | 78 |
| 6'' (CH2) | 62.7 |
| 1a (C) | 173 |
| 1b (CH2) | 44.1 |
| 1c (CH) | 26.8 |
| 1d (CH3) | 22.6 |
| 1e (CH3) | 22.6 |
