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Details

Stereochemistry RACEMIC
Molecular Formula C21H20O8
Molecular Weight 400.3787
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-ACETYL-7,8-DIHYDRO-8-(3,4,5-TRIMETHOXYPHENYL)-6H-1,3-DIOXOLO(4,5-G)(1)BENZOPYRAN-6-ONE, TRANS-

SMILES

COC1=CC(=CC(OC)=C1OC)[C@@H]2[C@@H](C(C)=O)C(=O)OC3=CC4=C(OCO4)C=C23

InChI

InChIKey=CEVCUUKJLCNBFF-MOPGFXCFSA-N
InChI=1S/C21H20O8/c1-10(22)18-19(11-5-16(24-2)20(26-4)17(6-11)25-3)12-7-14-15(28-9-27-14)8-13(12)29-21(18)23/h5-8,18-19H,9H2,1-4H3/t18-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H20O8
Molecular Weight 400.3787
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:55:44 GMT 2023
Edited
by admin
on Sat Dec 16 12:55:44 GMT 2023
Record UNII
SC6CA8T0XU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-ACETYL-7,8-DIHYDRO-8-(3,4,5-TRIMETHOXYPHENYL)-6H-1,3-DIOXOLO(4,5-G)(1)BENZOPYRAN-6-ONE, TRANS-
Systematic Name English
6H-1,3-DIOXOLO(4,5-G)(1)BENZOPYRAN-6-ONE, 7-ACETYL-7,8-DIHYDRO-8-(3,4,5-TRIMETHOXYPHENYL)-, TRANS-
Systematic Name English
NSC-375500
Code English
Code System Code Type Description
NSC
375500
Created by admin on Sat Dec 16 12:55:44 GMT 2023 , Edited by admin on Sat Dec 16 12:55:44 GMT 2023
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PUBCHEM
146665
Created by admin on Sat Dec 16 12:55:44 GMT 2023 , Edited by admin on Sat Dec 16 12:55:44 GMT 2023
PRIMARY
FDA UNII
SC6CA8T0XU
Created by admin on Sat Dec 16 12:55:44 GMT 2023 , Edited by admin on Sat Dec 16 12:55:44 GMT 2023
PRIMARY
CAS
117211-86-6
Created by admin on Sat Dec 16 12:55:44 GMT 2023 , Edited by admin on Sat Dec 16 12:55:44 GMT 2023
PRIMARY
EPA CompTox
DTXSID20151725
Created by admin on Sat Dec 16 12:55:44 GMT 2023 , Edited by admin on Sat Dec 16 12:55:44 GMT 2023
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