CINCHONAIN IA

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H20O9
Molecular Weight	452.4102
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@@H]1CC2=C(O[C@@H]1C3=CC(O)=C(O)C=C3)C4=C(OC(=O)C[C@@H]4C5=CC(O)=C(O)C=C5)C=C2O

InChI

InChIKey=LKCOZWLUAKSRQM-UMAWSMADSA-N

InChI=1S/C24H20O9/c25-14-3-1-10(5-17(14)28)12-8-21(31)32-20-9-16(27)13-7-19(30)23(33-24(13)22(12)20)11-2-4-15(26)18(29)6-11/h1-6,9,12,19,23,25-30H,7-8H2/t12-,19-,23-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H20O9
Molecular Weight	452.4102
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:31:31 GMT 2023` Edited by `admin` on `Sat Dec 16 09:31:31 GMT 2023`
Record UNII	XAW49PG8E7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CINCHONAIN IA

Common Name

English

(-)-CINCHONAIN IA

Common Name

English

(2R,3R,10R)-2,10-BIS(3,4-DIHYDROXYPHENYL)-3,4,9,10-TETRAHYDRO-3,5-DIHYDROXY-2H,8H-BENZO(1,2-B:3,4-B')DIPYRAN-8-ONE

Systematic Name

English

2H,8H-BENZO(1,2-B:3,4-B')DIPYRAN-8-ONE, 2,10-BIS(3,4-DIHYDROXYPHENYL)-3,4,9,10-TETRAHYDRO-3,5-DIHYDROXY-, (2R-(2.ALPHA.,3.ALPHA.,10.ALPHA.))-

Systematic Name

English

Code System Code Type Description

FDA UNII

XAW49PG8E7

Created by admin on Sat Dec 16 09:31:31 GMT 2023 , Edited by admin on Sat Dec 16 09:31:31 GMT 2023

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CAS

85081-24-9

Created by admin on Sat Dec 16 09:31:31 GMT 2023 , Edited by admin on Sat Dec 16 09:31:31 GMT 2023

PRIMARY

PUBCHEM

442675

Created by admin on Sat Dec 16 09:31:31 GMT 2023 , Edited by admin on Sat Dec 16 09:31:31 GMT 2023

PRIMARY

EPA CompTox

DTXSID40331901

Created by admin on Sat Dec 16 09:31:31 GMT 2023 , Edited by admin on Sat Dec 16 09:31:31 GMT 2023

PRIMARY

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