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Details

Stereochemistry ACHIRAL
Molecular Formula C25H26O5
Molecular Weight 406.4709
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 6-(3-(2',4'-DIHYDROXYPHENYL)ACRYLOYL)-7-HYDROXY-2,2-DIMETHYL-8-(3-METHYL-2-BUTENYL)-2H-BENZOPYRAN

SMILES

CC(C)=CCC1=C2OC(C)(C)C=CC2=CC(C(=O)\C=C\C3=C(O)C=C(O)C=C3)=C1O

InChI

InChIKey=XTHINBCPCUAECJ-JXMROGBWSA-N
InChI=1S/C25H26O5/c1-15(2)5-9-19-23(29)20(13-17-11-12-25(3,4)30-24(17)19)21(27)10-7-16-6-8-18(26)14-22(16)28/h5-8,10-14,26,28-29H,9H2,1-4H3/b10-7+

HIDE SMILES / InChI

Molecular Formula C25H26O5
Molecular Weight 406.4709
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:32:23 GMT 2023
Edited
by admin
on Sat Dec 16 01:32:23 GMT 2023
Record UNII
MEL2TEN7TH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-(3-(2',4'-DIHYDROXYPHENYL)ACRYLOYL)-7-HYDROXY-2,2-DIMETHYL-8-(3-METHYL-2-BUTENYL)-2H-BENZOPYRAN
Common Name English
(E)-3-(2,4-DIHYDROXYPHENYL)-1-(7-HYDROXY-2,2-DIMETHYL-8-(3-METHYLBUT-2-ENYL)CHROMEN-6-YL)PROP-2-EN-1-ONE
Systematic Name English
COMPOUND 6
Common Name English
2-PROPEN-1-ONE, 3-(2,4-DIHYDROXYPHENYL)-1-(7-HYDROXY-2,2-DIMETHYL-8-(3-METHYL-2-BUTEN-1-YL)-2H-1-BENZOPYRAN-6-YL)-
Systematic Name English
2-PROPEN-1-ONE, 3-(2,4-DIHYDROXYPHENYL)-1-(7-HYDROXY-2,2-DIMETHYL-8-(3-METHYL-2-BUTEN-1-YL)-2H-1-BENZOPYRAN-6-YL)-, (2E)-
Systematic Name English
Code System Code Type Description
FDA UNII
MEL2TEN7TH
Created by admin on Sat Dec 16 01:32:23 GMT 2023 , Edited by admin on Sat Dec 16 01:32:23 GMT 2023
PRIMARY
CAS
1435896-63-1
Created by admin on Sat Dec 16 01:32:23 GMT 2023 , Edited by admin on Sat Dec 16 01:32:23 GMT 2023
PRIMARY
CAS
50773-29-0
Created by admin on Sat Dec 16 01:32:23 GMT 2023 , Edited by admin on Sat Dec 16 01:32:23 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
42607547
Created by admin on Sat Dec 16 01:32:23 GMT 2023 , Edited by admin on Sat Dec 16 01:32:23 GMT 2023
PRIMARY
MANUFACTURER PRODUCT INFORMATION
COMPOUND 6
Created by admin on Sat Dec 16 01:32:23 GMT 2023 , Edited by admin on Sat Dec 16 01:32:23 GMT 2023
PRIMARY
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