MONARDEIN CATION

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H41O23
Molecular Weight	913.7611
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	1
Charge	1

SHOW SMILES / InChI

Structure Search

SMILES

O[C@@H]1[C@@H](COC(=O)\C=C\C2=CC=C(O)C=C2)O[C@@H](OC3=CC4=C(O[C@@H]5O[C@H](COC(=O)CC(O)=O)[C@@H](OC(=O)CC(O)=O)[C@H](O)[C@H]5O)C=C(O)C=C4[O+]=C3C6=CC=C(O)C=C6)[C@H](O)[C@H]1O

InChI

InChIKey=HOQNHEQPPFYHLF-QBMVVDGVSA-O

InChI=1S/C42H40O23/c43-20-6-1-18(2-7-20)3-10-31(50)58-16-27-34(53)35(54)37(56)41(63-27)62-26-13-23-24(60-39(26)19-4-8-21(44)9-5-19)11-22(45)12-25(23)61-42-38(57)36(55)40(65-33(52)15-30(48)49)28(64-42)17-59-32(51)14-29(46)47/h1-13,27-28,34-38,40-42,53-57H,14-17H2,(H4-,43,44,45,46,47,48,49,50)/p+1/t27-,28-,34-,35+,36-,37-,38-,40-,41-,42-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C42H40O23
Molecular Weight	912.7532
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 20:34:49 GMT 2025` Edited by `admin` on `Mon Mar 31 20:34:49 GMT 2025`
Record UNII	3987B1IE65
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MONARDEIN ION

Preferred Name

English

MONARDEIN CATION

Common Name

English

1-BENZOPYRYLIUM, 5-((4,6-BIS-O-(2-CARBOXYACETYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-7-HYDROXY-2-(4-HYDROXYPHENYL)-3-((6-O-((2E)-3-(4-HYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-

Systematic Name

English

Code System Code Type Description

CAS

739319-00-7

Created by admin on Mon Mar 31 20:34:49 GMT 2025 , Edited by admin on Mon Mar 31 20:34:49 GMT 2025

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PUBCHEM

11979367

Created by admin on Mon Mar 31 20:34:49 GMT 2025 , Edited by admin on Mon Mar 31 20:34:49 GMT 2025

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FDA UNII

3987B1IE65

Created by admin on Mon Mar 31 20:34:49 GMT 2025 , Edited by admin on Mon Mar 31 20:34:49 GMT 2025

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