3-Isomangostin

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H26O6
Molecular Weight	410.4596
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(O)C=C2OC3=CC4=C(CCC(C)(C)O4)C(O)=C3C(=O)C2=C1CC=C(C)C

InChI

InChIKey=KJCDBAVVDILRMP-UHFFFAOYSA-N

InChI=1S/C24H26O6/c1-12(2)6-7-14-19-17(10-15(25)23(14)28-5)29-18-11-16-13(8-9-24(3,4)30-16)21(26)20(18)22(19)27/h6,10-11,25-26H,7-9H2,1-5H3

HIDE SMILES / InChI

Molecular Formula	C24H26O6
Molecular Weight	410.4596
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 `Sat Dec 16 16:10:17 GMT 2023` Edited by `admin` on `Sat Dec 16 16:10:17 GMT 2023`
Record UNII	2RCN2CT95D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Isomangostin

Common Name

English

5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methyl-2-butenyl)-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-6-one

Systematic Name

English

3,4-Dihydro-5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methyl-2-butenyl)-2H,6H-pyrano[3,2-b]xanthen-6-one

Systematic Name

English

8-METHOXY-2,2-DIMETHYL-7-(3-METHYLBUT-2-ENYL)-5,9-BIS(OXIDANYL)-3,4-DIHYDROPYRANO(3,2-B)XANTHEN-6-ONE

Systematic Name

English

2H,6H-Pyrano[3,2-b]xanthen-6-one, 3,4-dihydro-5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methyl-2-butenyl)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID701317245

Created by admin on Sat Dec 16 16:10:17 GMT 2023 , Edited by admin on Sat Dec 16 16:10:17 GMT 2023

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CAS

19275-46-8

Created by admin on Sat Dec 16 16:10:17 GMT 2023 , Edited by admin on Sat Dec 16 16:10:17 GMT 2023

PRIMARY

PUBCHEM

13873655

Created by admin on Sat Dec 16 16:10:17 GMT 2023 , Edited by admin on Sat Dec 16 16:10:17 GMT 2023

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FDA UNII

2RCN2CT95D

Created by admin on Sat Dec 16 16:10:17 GMT 2023 , Edited by admin on Sat Dec 16 16:10:17 GMT 2023

PRIMARY