Spektraris NMR
(7S,8R)-1-[4-O-(b-D-glucopyranosyl)-3-methoxyphenyl]-2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]-1,3-propanediol
![(7S,8R)-1-[4-O-(b-D-glucopyranosyl)-3-methoxyphenyl]-2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]-1,3-propanediol](/nmr/static/nmr/svg/10304.svg)
Common Name: (7S,8R)-1-[4-O-(b-D-glucopyranosyl)-3-methoxyphenyl]-2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]-1,3-propanediol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H38O13/c1-35-17-11-15(6-7-16(17)39-27-25(34)24(33)23(32)21(13-30)40-27)22(31)20(12-29)38-26-18(36-2)9-14(5-4-8-28)10-19(26)37-3/h6-7,9-11,20-25,27-34H,4-5,8,12-13H2,1-3H3/t20-,21-,22+,23-,24+,25-,27-/m1/s1
InChIKey: InChIKey=GSYOCBBRNYSAFO-WRCXFAQESA-N
Formula: C27H38O13
Molecular Weight: 570.583882
Exact Mass: 570.231241
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) | 139.9 |
| 2 (CH) | 106.8 |
| 3 (C) | 154.3 |
| 4 (C) | 134.6 |
| 5 (C) | 154.3 |
| 6 (CH) | 106.8 |
| 7 (CH2) | 33.4 |
| 8 (CH2) | 35.4 |
| 9 (CH2) | 62.5 |
| 1' (C) | 137.4 |
| 2' (CH) | 112.3 |
| 3' (C) | 150.4 |
| 4' (C) | 147.1 |
| 5' (CH) | 117.5 |
| 6' (CH) | 120.7 |
| 7' (CH) | 73.7 |
| 8' (CH) | 87.2 |
| 9' (CH2) | 61.3 |
| 1'' (CH) | 102.9 |
| 2'' (CH) | 74.9 |
| 3'' (CH) | 78.1 |
| 4'' (CH) | 71.3 |
| 5'' (CH) | 77.8 |
| 6'' (CH2) | 62.1 |
| 3a (CH3) | 56.2 |
| 5a (CH3) | 56.2 |
| 3'a (CH3) | 56.7 |
