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Details

Stereochemistry ACHIRAL
Molecular Formula C25H28O6
Molecular Weight 424.4862
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of [7-Acetyloxy-4-ethyl-3-(4-methoxyphenyl)-2,2-dimethylchromen-8-yl]methyl acetate

SMILES

CCC1=C(C2=CC=C(OC)C=C2)C(C)(C)OC3=C(COC(C)=O)C(OC(C)=O)=CC=C13

InChI

InChIKey=KHVACRWDPPJMQC-UHFFFAOYSA-N
InChI=1S/C25H28O6/c1-7-19-20-12-13-22(30-16(3)27)21(14-29-15(2)26)24(20)31-25(4,5)23(19)17-8-10-18(28-6)11-9-17/h8-13H,7,14H2,1-6H3

HIDE SMILES / InChI

Molecular Formula C25H28O6
Molecular Weight 424.4862
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 04:39:39 GMT 2023
Edited
by admin
on Sat Dec 16 04:39:39 GMT 2023
Record UNII
TJU2B27NFU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
[7-Acetyloxy-4-ethyl-3-(4-methoxyphenyl)-2,2-dimethylchromen-8-yl]methyl acetate
Systematic Name English
2H-1-Benzopyran-8-methanol, 4-ethyl-7-hydroxy-3-(p-methoxyphenyl)-2,2-dimethyl-, diacetate
Common Name English
2H-1-Benzopyran-8-methanol, 7-(acetyloxy)-4-ethyl-3-(4-methoxyphenyl)-2,2-dimethyl-, 8-acetate
Systematic Name English
NSC-88531
Code English
Code System Code Type Description
NSC
88531
Created by admin on Sat Dec 16 04:39:39 GMT 2023 , Edited by admin on Sat Dec 16 04:39:39 GMT 2023
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PUBCHEM
259035
Created by admin on Sat Dec 16 04:39:39 GMT 2023 , Edited by admin on Sat Dec 16 04:39:39 GMT 2023
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CAS
16797-59-4
Created by admin on Sat Dec 16 04:39:39 GMT 2023 , Edited by admin on Sat Dec 16 04:39:39 GMT 2023
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EPA CompTox
DTXSID10937419
Created by admin on Sat Dec 16 04:39:39 GMT 2023 , Edited by admin on Sat Dec 16 04:39:39 GMT 2023
PRIMARY
FDA UNII
TJU2B27NFU
Created by admin on Sat Dec 16 04:39:39 GMT 2023 , Edited by admin on Sat Dec 16 04:39:39 GMT 2023
PRIMARY