Spektraris NMR
Patuletin-3-O-[2-O-E-feruloyl-b-D-glucopyranosyl-(1--> 6)-b-D-glucopyranoside]
![Patuletin-3-O-[2-O-E-feruloyl-b-D-glucopyranosyl-(1--> 6)-b-D-glucopyranoside]](/nmr/static/nmr/svg/8536.svg)
Common Name: Patuletin-3-O-[2-O-E-feruloyl-b-D-glucopyranosyl-(1--> 6)-b-D-glucopyranoside]
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H40O21/c1-52-20-9-14(3-6-17(20)41)4-8-24(44)58-36-31(50)26(45)22(12-39)56-38(36)54-13-23-27(46)30(49)32(51)37(57-23)59-35-29(48)25-21(11-19(43)34(53-2)28(25)47)55-33(35)15-5-7-16(40)18(42)10-15/h3-11,22-23,26-27,30-32,36-43,45-47,49-51H,12-13H2,1-2H3/b8-4+/t22-,23-,26-,27-,30+,31+,32-,36-,37+,38-/m1/s1
InChIKey: InChIKey=XEJAITZKDSZMCM-KMRSNLMRSA-N
Formula: C38H40O21
Molecular Weight: 832.713098
Exact Mass: 832.206208
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Fang, J.J., Ye, G., Chen, W.L., Zhao, W.M. Phytochemistry (2008) 69, 1279-86
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavones; 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 |
|---|---|
| 2 (C) | 156.5 |
| 3 (C) | 132.9 |
| 4 (C) | 177.8 |
| 5 (C) | 152.2 |
| 6 (C) | 131.6 |
| 7 (C) | 158.1 |
| 8 (CH) | 94.4 |
| 9 (C) | 151.8 |
| 10 (C) | 104.3 |
| 1' (C) | 121.2 |
| 2' (CH) | 116.2 |
| 3' (C) | 144.8 |
| 4' (C) | 148.6 |
| 5' (CH) | 115.7 |
| 6' (CH) | 121.7 |
| 1'' (CH) | 100.8 |
| 2'' (CH) | 73.7 |
| 3'' (CH) | 76.2 |
| 4'' (CH) | 69.7 |
| 5'' (CH) | 78.4 |
| 6'' (CH2) | 66.9 |
| 1''' (CH) | 100.2 |
| 2''' (CH) | 73.9 |
| 3''' (CH) | 74.3 |
| 4''' (CH) | 69.7 |
| 5''' (CH) | 76.4 |
| 6''' (CH2) | 60.1 |
| 1'''' (C) | 125.9 |
| 2'''' (CH) | 111.1 |
| 3'''' (C) | 148.1 |
| 4'''' (C) | 149.3 |
| 5'''' (CH) | 115.4 |
| 6'''' (CH) | 123 |
| 7'''' (CH) | 145.2 |
| 8'''' (CH) | 114.7 |
| 9'''' (C) | 165.9 |
| 6a (CH3) | 60.1 |
| 3''''a (CH3) | 55.9 |
