Methyl (2S,4S,E)-3-ethylidene-4-(2-(4-(2-(((2R,3R,4S,5S,6R)-6-((2-((2S,4S,E)-3-ethylidene-5-(methoxycarbonyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydro-2H-pyran-4-yl)acetoxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)ethyl)phenoxy)-2-oxoethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydro-2H-pyran-5-carboxylate

Catalog No. :: ACYHMX391
CAS No. :: 60037-39-0
Molecular Formula :: C48H64O27
Molecular Weight :: 1073.01

IUPAC Name:methyl (2S,4S,E)-3-ethylidene-4-(2-(4-(2-(((2R,3R,4S,5S,6R)-6-((2-((2S,4S,E)-3-ethylidene-5-(methoxycarbonyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydro-2H-pyran-4-yl)acetoxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)ethyl)phenoxy)-2-oxoethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydro-2H-pyran-5-carboxylate

Methyl (2S,4S,E)-3-ethylidene-4-(2-(4-(2-(((2R,3R,4S,5S,6R)-6-((2-((2S,4S,E)-3-ethylidene-5-(methoxycarbonyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydro-2H-pyran-4-yl)acetoxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)ethyl)phenoxy)-2-oxoethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydro-2H-pyran-5-carboxylate structure diagram

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Product Name	Methyl (2S,4S,E)-3-ethylidene-4-(2-(4-(2-(((2R,3R,4S,5S,6R)-6-((2-((2S,4S,E)-3-ethylidene-5-(methoxycarbonyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydro-2H-pyran-4-yl)acetoxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)ethyl)phenoxy)-2-oxoethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydro-2H-pyran-5-carboxylate
IUPAC Name	methyl (2S,4S,E)-3-ethylidene-4-(2-(4-(2-(((2R,3R,4S,5S,6R)-6-((2-((2S,4S,E)-3-ethylidene-5-(methoxycarbonyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydro-2H-pyran-4-yl)acetoxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)ethyl)phenoxy)-2-oxoethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydro-2H-pyran-5-carboxylate
MDL No.	MFCD02656389
Molecular Formula	C48H64O27
Molecular Weight	1073.01
SMILES	O=C(C1=CO[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)/C([C@@H]1CC(OC3=CC=C(CCO[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(C[C@H]5/C([C@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O6)OC=C5C(OC)=O)=C\C)=O)O4)C=C3)=O)=C/C)OC
InChI Key	SMSRUMQQXKEQCV-NKRYKJGSSA-N
Synonym	G13;GL3;Nuezhenoside G13;2H-Pyran-4-acetic acid, 3-ethylidene-2-(β-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-, 4-[2-[[6-O-[[(2S,3E,4S)-3-ethylidene-2-(β-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-yl]acetyl]-β-D-glucopyranosyl]oxy]ethyl]phenyl ester, (2S,3E,4S)-;inhibit,GL 3,GL-3,Inhibitor,GL3;ligustroflavone G13;GI3;Methyl (2S,4S,E)-3-ethylidene-4-(2-(4-(2-(((2R,3R,4S,5S,6R)-6-((2-((2S,4S,E)-3-ethylidene-5-(methoxycarbonyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydro-2H-pyran-4-yl)acetoxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)ethyl)phenoxy)-2-oxoethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydro-2H-pyran-5-carboxylate
CAS No.	60037-39-0
PubChem CID	102196658

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

Synthetic Route by SureRoute

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ACYHMX39160037-39-0

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Synthetic Route by SureRoute

1. ACYHMX391 Molecular Building Block Synthetic Route

2. ACYHMX391 Molecular Building Block Synthetic Route

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Synthetic Route by SureRoute

(2S,4S,E)-Methyl 3-ethylidene-4-(2-oxo-2-(4-(2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)ethyl)phenoxy)ethyl)-2-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydro-2H-pyran-5-carboxylate

(2S,4S,E)-Methyl 3-ethylidene-4-(2-oxo-2-(((2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(4-hydroxyphenethoxy)tetrahydro-2H-pyran-2-yl)methoxy)ethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydro-2H-pyran-5-carboxylate

Methyl (2S,4S,Z)-3-ethylidene-4-(2-oxo-2-(((2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(4-hydroxyphenethoxy)tetrahydro-2H-pyran-2-yl)methoxy)ethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydro-2H-pyran-5-carboxylate

Oleonuezhenide

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