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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H22O6
Molecular Weight 334.3637
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3'-HYDROXYZEARALENONE, (3S-(3R*,10R*,11E))-

SMILES

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

InChI

InChIKey=JHBGKFJOJVLUMC-YNVXZPTESA-N
InChI=1S/C18H22O6/c1-11-3-2-4-13(19)7-8-14(20)6-5-12-9-15(21)10-16(22)17(12)18(23)24-11/h5-6,9-11,14,20-22H,2-4,7-8H2,1H3/b6-5+/t11-,14+/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H22O6
Molecular Weight 334.3637
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 Fri Dec 15 15:57:14 GMT 2023
Edited
by admin
on Fri Dec 15 15:57:14 GMT 2023
Record UNII
8QK9XLZ53G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3'-HYDROXYZEARALENONE, (3S-(3R*,10R*,11E))-
Common Name English
(3S-(3R*,10R*,11E))-3'-HYDROXYZEARALENONE
Common Name English
1H-2-BENZOXACYCLOTETRADECIN-1,7(8H)-DIONE, 3,4,5,6,9,10-HEXAHYDRO-10,14,16-TRIHYDROXY-3-METHYL-, (3S-(3R*,10R*,11E))-
Systematic Name English
(2E,4S,11S)-4,15,17-TRIHYDROXY-11-METHYL-12-OXABICYCLO(12.4.0)OCTADECA-1(14),2,15,17-TETRAENE-7,13-DIONE
Systematic Name English
Code System Code Type Description
CAS
72843-00-6
Created by admin on Fri Dec 15 15:57:14 GMT 2023 , Edited by admin on Fri Dec 15 15:57:14 GMT 2023
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FDA UNII
8QK9XLZ53G
Created by admin on Fri Dec 15 15:57:14 GMT 2023 , Edited by admin on Fri Dec 15 15:57:14 GMT 2023
PRIMARY
PUBCHEM
162623626
Created by admin on Fri Dec 15 15:57:14 GMT 2023 , Edited by admin on Fri Dec 15 15:57:14 GMT 2023
PRIMARY