BIS(DEMALONYL)MONARDAEIN CHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H37O17.Cl
Molecular Weight	777.122
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of BIS(DEMALONYL)MONARDAEIN CHLORIDE

Structure Search

SMILES

[Cl-].OC[C@H]1O[C@@H](OC2=C3C=C(O[C@@H]4O[C@H](COC(=O)\C=C\C5=CC=C(O)C=C5)[C@@H](O)[C@H](O)[C@H]4O)C(=[O+]C3=CC(O)=C2)C6=CC=C(O)C=C6)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=XZNOFGBOGNYXQR-DTBMBSLQSA-N

InChI=1S/C36H36O17.ClH/c37-14-25-28(42)30(44)32(46)35(52-25)50-23-12-20(40)11-22-21(23)13-24(34(49-22)17-4-8-19(39)9-5-17)51-36-33(47)31(45)29(43)26(53-36)15-48-27(41)10-3-16-1-6-18(38)7-2-16;/h1-13,25-26,28-33,35-37,42-47H,14-15H2,(H2-,38,39,40,41);1H/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C36H36O17
Molecular Weight	740.6608
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:31:17 GMT 2025` Edited by `admin` on `Mon Mar 31 22:31:17 GMT 2025`
Record UNII	AHK570X0L5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MONARDEIN CHLORIDE [MI]

Preferred Name

English

BIS(DEMALONYL)MONARDAEIN CHLORIDE

Common Name

English

1-BENZOPYRYLIUM, 5-(.BETA.-D-GLUCOPYRANOSYLOXY)-7-HYDROXY-2-(4-HYDROXYPHENYL)-3-((6-O-((2E)-3-(4-HYDROXYPHENYL)-1-OXO-2-PROPENYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-, CHLORIDE

Systematic Name

English

Code System Code Type Description

PUBCHEM

20054972

Created by admin on Mon Mar 31 22:31:17 GMT 2025 , Edited by admin on Mon Mar 31 22:31:17 GMT 2025

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FDA UNII

AHK570X0L5

Created by admin on Mon Mar 31 22:31:17 GMT 2025 , Edited by admin on Mon Mar 31 22:31:17 GMT 2025

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CAS

1329-77-7

Created by admin on Mon Mar 31 22:31:17 GMT 2025 , Edited by admin on Mon Mar 31 22:31:17 GMT 2025

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MERCK INDEX

m353

Created by admin on Mon Mar 31 22:31:17 GMT 2025 , Edited by admin on Mon Mar 31 22:31:17 GMT 2025

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Merck Index