Spektraris NMR
40-Deoxykanokoside C
Common Name: 40-Deoxykanokoside C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H42O16/c1-10(2)3-15(31)42-24-17-16(22-23(43-22)27(17,36)9-29)11(6-37-24)7-38-25-18(32)13(30)4-12(40-25)8-39-26-21(35)20(34)19(33)14(5-28)41-26/h6,10,12-14,16-26,28-30,32-36H,3-5,7-9H2,1-2H3/t12-,13-,14+,16+,17+,18+,19+,20-,21+,22-,23-,24-,25+,26+,27+/m0/s1
InChIKey: InChIKey=WNZZSOHZUPLGJX-QPXDBJIGSA-N
Formula: C27H42O16
Molecular Weight: 622.61386
Exact Mass: 622.247285
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) | 142.7 |
| 4 (C) | 109.2 |
| 5 (CH) | 35.5 |
| 6 (CH) | 59.7 |
| 7 (CH) | 60.2 |
| 8 (C) | 80.1 |
| 9 (CH) | 43.4 |
| 10 (CH2) | 67 |
| 11 (CH2) | 69.6 |
| 1' (CH) | 102.5 |
| 2' (CH) | 76.9 |
| 3' (CH) | 72.2 |
| 4' (CH2) | 36.7 |
| 5' (CH) | 72.8 |
| 6' (CH2) | 72.6 |
| 1'' (CH) | 104.9 |
| 2'' (CH) | 75.1 |
| 3'' (CH) | 78.1 |
| 4'' (CH) | 71.6 |
| 5'' (CH) | 78 |
| 6'' (CH2) | 62.8 |
| 1a (C) | 173 |
| 1b (CH2) | 44.1 |
| 1c (CH) | 26.8 |
| 1d (CH3) | 22.6 |
| 1e (CH3) | 22.6 |
