Spektraris NMR
Viburtioside A
Common Name: Viburtioside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H44O16/c1-17(2)11-27(40)50-32-28-23(12-25(47-19(4)37)34(28,43)16-46-18(3)36)21(14-44-32)15-45-33-31(30(42)29(41)24(13-35)48-33)49-26(39)10-7-20-5-8-22(38)9-6-20/h5-10,14,17,23-25,28-33,35,38,41-43H,11-13,15-16H2,1-4H3/b10-7+/t23-,24-,25+,28-,29-,30+,31-,32+,33-,34-/m1/s1
InChIKey: InChIKey=IKJQBYHPQZGPBL-XLQUXNNSSA-N
Formula: C34H44O16
Molecular Weight: 708.704893
Exact Mass: 708.262935
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Mohamed, M.A., Marzouk, M.S., Moharram, F.A., ElSayed, M.M., Baiuomy, A.R. Phytochemistry (2005) 66, 2780-6
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) | 90.34 |
| 3 (CH) | 139.78 |
| 4 (C) | 115.44 |
| 5 (CH) | 32.67 |
| 6 (CH2) | 35.55 |
| 7 (CH) | 80.25 |
| 8 (C) | 81.64 |
| 9 (CH) | 45.09 |
| 10 (CH2) | 67.16 |
| 11 (CH2) | 68.67 |
| 1' (CH) | 100.54 |
| 2' (CH) | 74.7 |
| 3' (CH) | 76 |
| 4' (CH) | 71.75 |
| 5' (CH) | 77.15 |
| 6' (CH2) | 62.81 |
| 1a (C) | 171.24 |
| 1b (CH2) | 43.55 |
| 1c (CH) | 26.04 |
| 1d (CH3) | 22.42 |
| 1e (CH3) | 22.42 |
| 7a (C) | 170.74 |
| 7b (CH3) | 20.56 |
| 10a (C) | 170.11 |
| 10b (CH3) | 20.52 |
| 2'a (C) | 166.44 |
| 2'b (CH) | 115.55 |
| 2'c (CH) | 145.48 |
| 2'd (C) | 126.82 |
| 2'e (CH) | 130.79 |
| 2'f (CH) | 116.53 |
| 2'g (C) | 160.4 |
| 2'h (CH) | 116.53 |
| 2'i (CH) | 130.79 |
