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.beta.-D-Glucopyranoside, 4-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)hydroxymethyl]-3-butynyl, [S-(R*,S*)]-
SpectraBase Compound ID 6PuXuDmB8FD
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
Mol Weight 534.6 g/mol
Molecular Formula C27H34O11
Exact Mass 534.210112 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1pb3FehOLga
Name .beta.-D-Glucopyranoside, 4-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)hydroxymethyl]-3-butynyl, [S-(R*,S*)]-
CAS Registry Number 111518-96-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
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 O[C@@]1([C@]([C@](O[C@@]([C@](c2cc(OC)c(cc2)OC)(O)[H])(CC#Cc2cc(OC)c(cc2)OC)[H])(O[C@@]([C@]1(O)[H])(CO)[H])[H])(O)[H])[H]
SPLASH splash10-0zi0-0595010000-2ba0c24065095e97483d
Source of Spectrum F-43-3522-4
Synonyms (1R)-4-(3,4-dimethoxyphenyl)-1-[(S)-(3,4-dimethoxyphenyl)(hydroxy)methyl]-3-butynyl .beta.-D-glucopyranoside Tetramethylnyasicoside
Wiley ID 1403791