Spektraris NMR
b-D-[5-O-(3,4,5-trimethoxybenzoyl)]-apiofuranosyl-(1-->6)-b-D-glucopyranosyl
![b-D-[5-O-(3,4,5-trimethoxybenzoyl)]-apiofuranosyl-(1-->6)-b-D-glucopyranosyl](/nmr/static/nmr/svg/8321.svg)
Common Name: b-D-[5-O-(3,4,5-trimethoxybenzoyl)]-apiofuranosyl-(1-->6)-b-D-glucopyranosyl
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H38O17/c1-13-5-14-6-16(9-17(32)21(14)28(38)46-13)47-29-24(35)23(34)22(33)20(48-29)10-43-30-26(36)31(39,12-45-30)11-44-27(37)15-7-18(40-2)25(42-4)19(8-15)41-3/h6-9,13,20,22-24,26,29-30,32-36,39H,5,10-12H2,1-4H3/t13?,20-,22-,23+,24-,26+,29-,30-,31-/m1/s1
InChIKey: InChIKey=XNBPCDMESPZVBF-VOBQCZAGSA-N
Formula: C31H38O17
Molecular Weight: 682.624445
Exact Mass: 682.2109
NMR Solvent:
MHz:
Calibration:
NMR references: 13C - Warashina, T., Nagatani, Y., Noro, T. Phytochemistry (2004) 65, 2003-11
Species:
Notes: Family : Isochromans, Type : Isocoumarins; 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 (C) | 171.2 |
| 3 (CH) | 77.2 |
| 4 (CH2) | 35.4 |
| 5 (CH) | 108.6 |
| 6 (C) | 165.2 |
| 7 (CH) | 103.1 |
| 8 (C) | 164.9 |
| 9 (C) | 103.7 |
| 10 (C) | 143 |
| 1' (CH) | 101.2 |
| 2' (CH) | 74.7 |
| 3' (CH) | 77.9 |
| 4' (CH) | 71.8 |
| 5' (CH) | 77.1 |
| 6' (CH2) | 69.5 |
| 1'' (CH) | 111.4 |
| 2'' (CH) | 78.9 |
| 3'' (C) | 78.9 |
| 4'' (CH2) | 75.1 |
| 5'' (CH2) | 67.7 |
| 1''' (C) | 167.3 |
| 2''' (C) | 126.3 |
| 3''' (CH) | 108.3 |
| 4''' (C) | 154.3 |
| 5''' (C) | 143.7 |
| 6''' (C) | 154.3 |
| 7''' (CH) | 108.3 |
| 3a (CH3) | 20.8 |
| 4'''a (CH3) | 56.8 |
| 5'''a (CH3) | 61.2 |
| 6'''a (CH3) | 56.8 |
