4-METHYLUMBELLIFERYL .BETA.-D-NN'-DIACETYLCHITOBIOSIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H34N2O13
Molecular Weight	582.5538
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-METHYLUMBELLIFERYL .BETA.-D-NN'-DIACETYLCHITOBIOSIDE

Structure Search

SMILES

CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@@H]2[C@@H](CO)O[C@@H](OC3=CC4=C(C=C3)C(C)=CC(=O)O4)[C@H](NC(C)=O)[C@H]2O

InChI

InChIKey=UPSFMJHZUCSEHU-JYGUBCOQSA-N

InChI=1S/C26H34N2O13/c1-10-6-18(33)38-15-7-13(4-5-14(10)15)37-25-20(28-12(3)32)23(36)24(17(9-30)40-25)41-26-19(27-11(2)31)22(35)21(34)16(8-29)39-26/h4-7,16-17,19-26,29-30,34-36H,8-9H2,1-3H3,(H,27,31)(H,28,32)/t16-,17-,19-,20-,21-,22-,23-,24-,25-,26+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H34N2O13
Molecular Weight	582.5538
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 06:43:55 GMT 2025` Edited by `admin` on `Wed Apr 02 06:43:55 GMT 2025`
Record UNII	SYW68VG2T6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-METHYLUMBELLIFERYL .BETA.-D-NN'-DIACETYLCHITOBIOSIDE

Common Name

English

4-METHYLUMBELLIFERYL N,N'-DIACETYL-.BETA.-CHITOBIOSIDE

Preferred Name

English

N-((2S,3R,4R,5S,6R)-5-(((2S,3R,4R,5S,6R)-3-ACETAMIDO-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL)OXY)-4-HYDROXY-6-(HYDROXYMETHYL)-2-((4-METHYL-2-OXO-2H-CHROMEN-7-YL)OXY)OXAN-3-YL)ACETAMIDE

Systematic Name

English

7-((2-(ACETYLAMINO)-4-O-(2-(ACETYLAMINO)-2-DEOXY-.BETA.-D-GLUCOPYRANOSYL)-2-DEOXY-.BETA.-D-GLUCOPYRANOSYL)OXY)-4-METHYL-2H-1-BENZOPYRAN-2-ONE

Systematic Name

English

N-((2R,3R,4R,5S,6S)-2-((2R,3R,4S,5S,6S)-5-ACETAMIDO-2-(HYDROXYMETHYL)-6-(4-METHYL-2-OXIDANYLIDENE-CHROMEN-7-YL)OXY-4-OXIDANYL-OXAN-3-YL)OXY-6-(HYDROXYMETHYL)-4,5-BIS(OXIDANYL)OXAN-3-YL)ETHANAMIDE

Systematic Name

English

METHYLUMBELLIFERYL-N,N'-DIACETYLCHITOBIOSIDE

Common Name

English

Code System Code Type Description

FDA UNII

SYW68VG2T6

Created by admin on Wed Apr 02 06:43:55 GMT 2025 , Edited by admin on Wed Apr 02 06:43:55 GMT 2025

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CAS

53643-12-2

Created by admin on Wed Apr 02 06:43:55 GMT 2025 , Edited by admin on Wed Apr 02 06:43:55 GMT 2025

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PUBCHEM

171284

Created by admin on Wed Apr 02 06:43:55 GMT 2025 , Edited by admin on Wed Apr 02 06:43:55 GMT 2025

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EPA CompTox

DTXSID30201881

Created by admin on Wed Apr 02 06:43:55 GMT 2025 , Edited by admin on Wed Apr 02 06:43:55 GMT 2025

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