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Details

Stereochemistry ACHIRAL
Molecular Formula C24H28O7
Molecular Weight 428.4749
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Isomangostin hydrate

SMILES

COC1=C(O)C=C2OC3=CC(O)=C4CCC(C)(C)OC4=C3C(=O)C2=C1CCC(C)(C)O

InChI

InChIKey=QEERGWNVXZILOR-UHFFFAOYSA-N
InChI=1S/C24H28O7/c1-23(2,28)8-6-13-18-16(11-15(26)21(13)29-5)30-17-10-14(25)12-7-9-24(3,4)31-22(12)19(17)20(18)27/h10-11,25-26,28H,6-9H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C24H28O7
Molecular Weight 428.4749
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 15:20:11 GMT 2023
Edited
by admin
on Sat Dec 16 15:20:11 GMT 2023
Record UNII
T5J4RAB3HH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Isomangostin hydrate
Common Name English
10-methoxy-2,2-dimethyl-11-(3-methyl-3-oxidanyl-butyl)-5,9-bis(oxidanyl)-3,4-dihydropyrano(2,3-a)xanthen-12-one
Systematic Name English
2H,12H-Pyrano[2,3-a]xanthen-12-one, 3,4-dihydro-5,9-dihydroxy-11-(3-hydroxy-3-methylbutyl)-10-methoxy-2,2-dimethyl-
Systematic Name English
3,4-Dihydro-5,9-dihydroxy-11-(3-hydroxy-3-methylbutyl)-10-methoxy-2,2-dimethyl-2H,12H-pyrano[2,3-a]xanthen-12-one
Systematic Name English
Code System Code Type Description
FDA UNII
T5J4RAB3HH
Created by admin on Sat Dec 16 15:20:11 GMT 2023 , Edited by admin on Sat Dec 16 15:20:11 GMT 2023
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PUBCHEM
13873659
Created by admin on Sat Dec 16 15:20:11 GMT 2023 , Edited by admin on Sat Dec 16 15:20:11 GMT 2023
PRIMARY
CAS
26063-95-6
Created by admin on Sat Dec 16 15:20:11 GMT 2023 , Edited by admin on Sat Dec 16 15:20:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID701107177
Created by admin on Sat Dec 16 15:20:11 GMT 2023 , Edited by admin on Sat Dec 16 15:20:11 GMT 2023
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