BIS(DEMALONYL)MONARDAEIN CATION

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H37O17
Molecular Weight	741.6688
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	1
Charge	1

SHOW SMILES / InChI

Structure of BIS(DEMALONYL)MONARDAEIN CATION

Structure Search

SMILES

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=HFGYRTHYZMEEPZ-AQAMAIGXSA-O

InChI=1S/C36H36O17/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)/p+1/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1

HIDE SMILES / InChI

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 `Sat Dec 16 00:23:32 GMT 2023` Edited by `admin` on `Sat Dec 16 00:23:32 GMT 2023`
Record UNII	Y2Z6VP3E4A
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BIS(DEMALONYL)MONARDAEIN CATION

Common Name

English

1-BENZOPYRYLIUM, 5-(.BETA.-D-GLUCOPYRANOSYLOXY)-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

167936-45-0

Created by admin on Sat Dec 16 00:23:32 GMT 2023 , Edited by admin on Sat Dec 16 00:23:32 GMT 2023

PRIMARY

FDA UNII

Y2Z6VP3E4A

Created by admin on Sat Dec 16 00:23:32 GMT 2023 , Edited by admin on Sat Dec 16 00:23:32 GMT 2023

PRIMARY

PUBCHEM

20054973

Created by admin on Sat Dec 16 00:23:32 GMT 2023 , Edited by admin on Sat Dec 16 00:23:32 GMT 2023

PRIMARY