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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H21BrO5
Molecular Weight 397.26
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-BROMOZEARALENONE

SMILES

C[C@H]1CCCC(=O)CCC\C=C\C2=C(C(O)=CC(O)=C2Br)C(=O)O1

InChI

InChIKey=YKUNODFQBXAGBA-VKJYCEFSSA-N
InChI=1S/C18H21BrO5/c1-11-6-5-8-12(20)7-3-2-4-9-13-16(18(23)24-11)14(21)10-15(22)17(13)19/h4,9-11,21-22H,2-3,5-8H2,1H3/b9-4+/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H21BrO5
Molecular Weight 397.26
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:58:39 GMT 2023
Edited
by admin
on Sat Dec 16 11:58:39 GMT 2023
Record UNII
5OR60F8D1R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-BROMOZEARALENONE
Common Name English
1H-2-BENZOXACYCLOTETRADECIN-1,7(8H)-DIONE, 13-BROMO-3,4,5,6,9,10-HEXAHYDRO-14,16-DIHYDROXY-3-METHYL-, (3S,11E)-
Systematic Name English
Code System Code Type Description
FDA UNII
5OR60F8D1R
Created by admin on Sat Dec 16 11:58:40 GMT 2023 , Edited by admin on Sat Dec 16 11:58:40 GMT 2023
PRIMARY
PUBCHEM
122201288
Created by admin on Sat Dec 16 11:58:40 GMT 2023 , Edited by admin on Sat Dec 16 11:58:40 GMT 2023
PRIMARY