| SpectraBase Spectrum ID |
DwrfBQqyxA2 |
| Name |
.beta.-D-Glucopyranoside, 4-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)hydroxymethyl]-3-butynyl, [S-(R*,S*)]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
534.210111904 u |
| Formula |
C27H34O11 |
| InChI |
InChI=1S/C27H34O11/c1-33-17-10-8-15(12-20(17)35-3)6-5-7-19(23(29)16-9-11-18(34-2)21(13-16)36-4)37-27-26(32)25(31)24(30)22(14-28)38-27/h8-13,19,22-32H,7,14H2,1-4H3/t19-,22-,23+,24-,25+,26-,27-/m1/s1 |
| InChIKey |
IKIFYAWQFDKTCM-UMXQBSJQSA-N |
| Molecular Weight |
534.558 g/mol |
| SMILES |
[C@]1([C@@]([C@@](O)([C@@]([C@](O1)(CO)[H])(O)[H])[H])(O)[H])(O[C@@]([C@](C=1C=C(OC)C(=CC1)OC)(O)[H])(CC#CC=1C=C(OC)C(=CC1)OC)[H])[H] |
![.beta.-D-Glucopyranoside, 4-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)hydroxymethyl]-3-butynyl, [S-(R*,S*)]-](/api/spectrum/DwrfBQqyxA2/structure.png?h=300&w=458 ".beta.-D-Glucopyranoside, 4-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)hydroxymethyl]-3-butynyl, [S-(R*,S*)]-")
