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Details

Stereochemistry RACEMIC
Molecular Formula C25H23BrO5
Molecular Weight 483.351
Optical Activity ( + / - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FL3

SMILES

COC1=CC(OC)=C2C(O[C@]3([C@@H](C[C@@H](O)[C@@]23O)C4=CC=CC=C4)C5=CC=C(Br)C=C5)=C1

InChI

InChIKey=ACIXIVSDWSWVDW-MCWSDJLFSA-N
InChI=1S/C25H23BrO5/c1-29-18-12-20(30-2)23-21(13-18)31-25(16-8-10-17(26)11-9-16)19(14-22(27)24(23,25)28)15-6-4-3-5-7-15/h3-13,19,22,27-28H,14H2,1-2H3/t19-,22+,24+,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H23BrO5
Molecular Weight 483.351
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:28:28 GMT 2023
Edited
by admin
on Sat Dec 16 17:28:28 GMT 2023
Record UNII
FTL3D4LRE3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FL3
Common Name English
FL3 (FLAVAGLINE)
Common Name English
rel-(1R,3S,3aR,8bS)-3a-(4-Bromophenyl)-1,2,3,3a-tetrahydro-6,8-dimethoxy-3-phenyl-8bH-cyclopenta[b]benzofuran-1,8b-diol
Systematic Name English
8bH-Cyclopenta[b]benzofuran-1,8b-diol, 3a-(4-bromophenyl)-1,2,3,3a-tetrahydro-6,8-dimethoxy-3-phenyl-, (1R,3S,3aR,8bS)-rel-
Systematic Name English
Code System Code Type Description
FDA UNII
FTL3D4LRE3
Created by admin on Sat Dec 16 17:28:28 GMT 2023 , Edited by admin on Sat Dec 16 17:28:28 GMT 2023
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WIKIPEDIA
FL3 (flavagline)
Created by admin on Sat Dec 16 17:28:28 GMT 2023 , Edited by admin on Sat Dec 16 17:28:28 GMT 2023
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CAS
1186012-80-5
Created by admin on Sat Dec 16 17:28:28 GMT 2023 , Edited by admin on Sat Dec 16 17:28:28 GMT 2023
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PUBCHEM
44233671
Created by admin on Sat Dec 16 17:28:28 GMT 2023 , Edited by admin on Sat Dec 16 17:28:28 GMT 2023
PRIMARY
EPA CompTox
DTXSID801030080
Created by admin on Sat Dec 16 17:28:28 GMT 2023 , Edited by admin on Sat Dec 16 17:28:28 GMT 2023
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