(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-((((E)-3-(4-hydroxyphenyl)acryloyl)oxy)methyl)-2-(4-(3-oxobutyl)phenoxy)tetrahydro-2H-pyran-3-yl 3,4,5-trihydroxybenzoate

Catalog No. :: ACRBES418
CAS No. :: 105274-16-6
Molecular Formula :: C32H32O13
Molecular Weight :: 624.59

IUPAC Name:4-(3-oxobutyl)phenyl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-O-(3,4,5-trihydroxybenzoyl)-b-D-glucopyranoside

(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-((((E)-3-(4-hydroxyphenyl)acryloyl)oxy)methyl)-2-(4-(3-oxobutyl)phenoxy)tetrahydro-2H-pyran-3-yl 3,4,5-trihydroxybenzoate structure diagram

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Product Information

Product Name	(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-((((E)-3-(4-hydroxyphenyl)acryloyl)oxy)methyl)-2-(4-(3-oxobutyl)phenoxy)tetrahydro-2H-pyran-3-yl 3,4,5-trihydroxybenzoate
IUPAC Name	4-(3-oxobutyl)phenyl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-O-(3,4,5-trihydroxybenzoyl)-b-D-glucopyranoside
Molecular Formula	C32H32O13
Molecular Weight	624.59
SMILES	CC(CCC1=CC=C(O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](COC(/C=C/C3=CC=C(O)C=C3)=O)O2)O)O)OC(C4=CC(O)=C(O)C(O)=C4)=O)C=C1)=O
InChI Key	QIEOAEKNEKYVTH-IQDFXBJLSA-N
Synonym	4-(3-oxobutyl)phenyl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-O-(3,4,5-trihydroxybenzoyl)-b-D-glucopyranoside;4-[4-[[6-O-[(2E)-3-(4-Hydroxyphenyl)-1-oxo-2-propen-1-yl]-2-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyl]oxy]phenyl]-2-butanone;4-(3-oxobutyl)phenyl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside;2-Butanone, 4-[4-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-2-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]phenyl]-
CAS No.	105274-16-6

Safety Data

Pictogram
Signal Word: Warning
Hazard Statement(s): H302-H315-H319
Precautionary Statement(s): P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501

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(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-((((E)-3-(4-hydroxyphenyl)acryloyl)oxy)methyl)-2-(4-(3-oxobutyl)phenoxy)tetrahydro-2H-pyran-3-yl 3,4,5-trihydroxybenzoate

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1. ACRBES418 Molecular Building Block Synthetic Route

2. ACRBES418 Molecular Building Block Synthetic Route

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(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-((((E)-3-(4-hydroxyphenyl)acryloyl)oxy)methyl)-2-(4-(3-oxobutyl)phenoxy)tetrahydro-2H-pyran-3-yl 3,4,5-trihydroxybenzoate

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Synthetic Route by SureRoute

(2S,3R,4S,5S,6R)-6-((Cinnamoyloxy)methyl)-4,5-dihydroxy-2-(4-(3-oxobutyl)phenoxy)tetrahydro-2H-pyran-3-yl 3,4,5-trihydroxybenzoate

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((2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-(3-oxobutyl)phenoxy)tetrahydro-2H-pyran-2-yl)methyl 3,4,5-trihydroxybenzoate

(3R,4S,5S,6R)-2-(4-((E)-3,5-Dihydroxystyryl)phenoxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl 3,4,5-trihydroxybenzoate

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