(2R,3R,4R,5R,6R)-5-hydroxy-6-(3-hydroxy-4-methoxyphenethoxy)-4-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-((((2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-3-yl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate

Catalog No. :: ACFWMD814
CAS No. :: 115909-22-3
Molecular Formula :: C36H48O19
Molecular Weight :: 784.76

IUPAC Name:(2R,3R,4R,5R,6R)-5-hydroxy-6-(3-hydroxy-4-methoxyphenethoxy)-4-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-((((2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-3-yl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate

(2R,3R,4R,5R,6R)-5-hydroxy-6-(3-hydroxy-4-methoxyphenethoxy)-4-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-((((2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-3-yl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate structure diagram

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Product Name	(2R,3R,4R,5R,6R)-5-hydroxy-6-(3-hydroxy-4-methoxyphenethoxy)-4-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-((((2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-3-yl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate
IUPAC Name	(2R,3R,4R,5R,6R)-5-hydroxy-6-(3-hydroxy-4-methoxyphenethoxy)-4-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-((((2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-3-yl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate
Molecular Formula	C36H48O19
Molecular Weight	784.76
SMILES	COC1=CC(/C=C/C(=O)O[C@H]2[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](OCCC3=CC(O)=C(OC)C=C3)O[C@@H]2CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=CC=C1O
InChI Key	KLQXMRBGMLHBBQ-DQTDZZOCSA-N
Synonym	Angoroside C ,98%;[(2R,3R,4R,5R,6R)-5-Hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate;ANGOROSIDE C;Angoroside;Angelo glycosides C;β-D-Glucopyranoside, 2-(3-hydroxy-4-methoxyphenyl)ethyl O-α-L-arabinopyranosyl-(1→6)-O-[6-deoxy-α-L-mannopyranosyl-(1→3)]-, 4-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate];Angoroside C USP/EP/BP;Inhibitor,inhibit,Angoroside C
CAS No.	115909-22-3

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(2R,3R,4R,5R,6R)-5-hydroxy-6-(3-hydroxy-4-methoxyphenethoxy)-4-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-((((2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-3-yl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate

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1. ACFWMD814 Molecular Building Block Synthetic Route

2. ACFWMD814 Molecular Building Block Synthetic Route

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(2R,3R,4R,5R,6R)-5-hydroxy-6-(3-hydroxy-4-methoxyphenethoxy)-4-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-((((2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-3-yl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate

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Synthetic Route by SureRoute

(2R,3R,4R,5R,6R)-5-hydroxy-6-(3-hydroxy-4-methoxyphenethoxy)-2-(hydroxymethyl)-4-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate

cis-Martynoside

(2R,3R,4R,5R,6R)-5-hydroxy-6-(3-hydroxy-4-methoxyphenethoxy)-2-(hydroxymethyl)-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate

Jionoside B1

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