Spektraris NMR
(7R,8S)-9-O-b-D-xylopyranosyl-9'-O-a-L-rhamnopyranosyl-(1-->6)-b-D-glucopyranosyldihydrodehydrodiconiferyl alcohol
Common Name: (7R,8S)-9-O-b-D-xylopyranosyl-9'-O-a-L-rhamnopyranosyl-(1-->6)-b-D-glucopyranosyldihydrodehydrodiconiferyl alcohol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H52O19/c1-15-25(40)28(43)31(46)37(54-15)53-14-24-27(42)29(44)32(47)36(55-24)50-8-4-5-16-9-18-19(12-51-35-30(45)26(41)21(39)13-52-35)33(56-34(18)23(10-16)49-3)17-6-7-20(38)22(11-17)48-2/h6-7,9-11,15,19,21,24-33,35-47H,4-5,8,12-14H2,1-3H3/t15-,19+,21+,24+,25-,26-,27+,28+,29-,30+,31+,32+,33-,35+,36+,37+/m0/s1
InChIKey: InChIKey=QOLWKSXAUOVDSR-CQZBQOMYSA-N
Formula: C37H52O19
Molecular Weight: 800.798841
Exact Mass: 800.310279
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Tang, W.Z., Liu, Y.B., Yu, S.S., Qu, J., Su, D.M. Planta Med (2007) 73, 484-90
Species:
Notes: Family : Lignans, Type : Neolignans, Group : Benzofurans; 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) | 134.5 |
| 2 (CH) | 110.7 |
| 3 (C) | 149 |
| 4 (C) | 147.4 |
| 5 (C) | 116 |
| 6 (CH) | 119.7 |
| 7 (CH2) | 89.2 |
| 8 (CH2) | 52.9 |
| 9 (CH2) | 72.2 |
| 1' (C) | 136.9 |
| 2' (CH) | 114.3 |
| 3' (C) | 145.1 |
| 4' (C) | 147.4 |
| 5' (CH) | 129.5 |
| 6' (CH) | 118.2 |
| 7' (CH) | 32.9 |
| 8' (CH) | 33 |
| 9' (CH2) | 70 |
| 1'' (CH) | 104.5 |
| 2'' (CH) | 75.1 |
| 3'' (CH) | 78.1 |
| 4'' (CH) | 71.2 |
| 5'' (CH) | 77.8 |
| 6'' (CH2) | 68.1 |
| 1''' (CH) | 102.3 |
| 2''' (CH) | 71.7 |
| 3''' (CH) | 72.3 |
| 4''' (CH) | 74.9 |
| 5''' (CH) | 69.8 |
| 6''' (CH3) | 18 |
| 1'''' (CH) | 104.9 |
| 2'''' (CH) | 74 |
| 3'''' (CH) | 76.8 |
| 4'''' (CH) | 70 |
| 5'''' (CH2) | 66.9 |
| 3a (CH3) | 56.4 |
| 3'a (CH3) | 56.8 |
