CENTAUREIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H26O13
Molecular Weight	522.4554
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(O)C=C(C=C1)C2=C(OC)C(=O)C3=C(O)C(OC)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2

InChI

InChIKey=GGMCFLXPZMBJMV-NPVWYNPDSA-N

InChI=1S/C24H26O13/c1-32-11-5-4-9(6-10(11)26)21-23(34-3)18(29)15-12(35-21)7-13(22(33-2)17(15)28)36-24-20(31)19(30)16(27)14(8-25)37-24/h4-7,14,16,19-20,24-28,30-31H,8H2,1-3H3/t14-,16-,19+,20-,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H26O13
Molecular Weight	522.4554
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:08:47 GMT 2023` Edited by `admin` on `Sat Dec 16 10:08:47 GMT 2023`
Record UNII	Y985P9U3S7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CENTAUREIN

Common Name

English

CENTAUREIN, (-)-

Common Name

English

7-(.BETA.-D-GLUCOPYRANOSYLOXY)-5-HYDROXY-2-(3-HYDROXY-4-METHOXYPHENYL)-3,6-DIMETHOXY-4H-1-BENZOPYRAN-4-ONE

Systematic Name

English

4H-1-BENZOPYRAN-4-ONE, 7-(.BETA.-D-GLUCOPYRANOSYLOXY)-5-HYDROXY-2-(3-HYDROXY-4-METHOXYPHENYL)-3,6-DIMETHOXY-

Systematic Name

English

CENTAUREIN [MI]

Common Name

English

Code System Code Type Description

MERCK INDEX

m3239