(3R,4S,5S,6R)-6-((((2S,3R,4S,5S,6R)-2-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-one

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H33ClO12
Molecular Weight	584.997
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (3R,4S,5S,6R)-6-((((2S,3R,4S,5S,6R)-2-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-one

Structure Search

SMILES

CCOC1=CC=C(CC2=CC(=CC=C2Cl)[C@]4(OC[C@H]3OC(=O)[C@H](O)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C1

InChI

InChIKey=MTIKNIBPWAJRRE-BJGJYONOSA-N

InChI=1S/C27H33ClO12/c1-2-37-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)28)27(25(35)23(33)20(30)18(11-29)40-27)38-12-19-21(31)22(32)24(34)26(36)39-19/h3-8,10,18-25,29-35H,2,9,11-12H2,1H3/t18-,19-,20-,21-,22+,23+,24-,25-,27+/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(3R,4S,5S,6R)-6-((((2S,3R,4S,5S,6R)-2-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-one

Preferred Name

English

Code System Code Type Description

PUBCHEM

156699662

Created by admin on Wed Apr 02 17:31:42 GMT 2025 , Edited by admin on Wed Apr 02 17:31:42 GMT 2025

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CAS

2452300-92-2

Created by admin on Wed Apr 02 17:31:42 GMT 2025 , Edited by admin on Wed Apr 02 17:31:42 GMT 2025

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FDA UNII

YJ3EUK5ERM

Created by admin on Wed Apr 02 17:31:42 GMT 2025 , Edited by admin on Wed Apr 02 17:31:42 GMT 2025

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SUBSTANCE RECORD


					YJ3EUK5ERM

(3R,4S,5S,6R)-6-((((2S,3R,4S,5S,6R)-2-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-one