CENTAUREIN MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H26O13.H2O
Molecular Weight	540.4707
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.COC1=C(O)C=C(C=C1)C2=C(OC)C(=O)C3=C(O2)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(OC)=C3O

InChI

InChIKey=CLLXBBPVVFIEBH-CWRMTUAUSA-N

InChI=1S/C24H26O13.H2O/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;1H2/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

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:33:35 GMT 2025` Edited by `admin` on `Mon Mar 31 23:33:35 GMT 2025`
Record UNII	N1GW5YTI6K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CENTAUREIN MONOHYDRATE [MI]

Preferred Name

English

CENTAUREIN MONOHYDRATE

Common Name

English

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

Systematic Name

English

Code System Code Type Description

MERCK INDEX

m3239

Created by admin on Mon Mar 31 23:33:35 GMT 2025 , Edited by admin on Mon Mar 31 23:33:35 GMT 2025

PRIMARY

Merck Index

PUBCHEM

76969011

Created by admin on Mon Mar 31 23:33:35 GMT 2025 , Edited by admin on Mon Mar 31 23:33:35 GMT 2025

PRIMARY

FDA UNII

N1GW5YTI6K

Created by admin on Mon Mar 31 23:33:35 GMT 2025 , Edited by admin on Mon Mar 31 23:33:35 GMT 2025

PRIMARY

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