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Details

Stereochemistry RACEMIC
Molecular Formula C20H16O7
Molecular Weight 368.3368
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AVERUFIN, (±)-

SMILES

CC12CCCC(O1)C3=C(O)C4=C(C=C3O2)C(=O)C5=C(C(O)=CC(O)=C5)C4=O

InChI

InChIKey=RYFFZJHGQCKWMV-UHFFFAOYSA-N
InChI=1S/C20H16O7/c1-20-4-2-3-12(26-20)16-13(27-20)7-10-15(19(16)25)18(24)14-9(17(10)23)5-8(21)6-11(14)22/h5-7,12,21-22,25H,2-4H2,1H3

HIDE SMILES / InChI

Molecular Formula C20H16O7
Molecular Weight 368.3368
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:24:49 GMT 2023
Edited
by admin
on Sat Dec 16 10:24:49 GMT 2023
Record UNII
825142Q18L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AVERUFIN, (±)-
Common Name English
2,6-EPOXY-2H-ANTHRA(2,3-B)OXOCIN-8,13-DIONE, 3,4,5,6-TETRAHYDRO-7,9,11-TRIHYDROXY-2-METHYL-, (±)-
Systematic Name English
(±)-AVERUFIN
Common Name English
Code System Code Type Description
FDA UNII
825142Q18L
Created by admin on Sat Dec 16 10:24:49 GMT 2023 , Edited by admin on Sat Dec 16 10:24:49 GMT 2023
PRIMARY
PUBCHEM
131171
Created by admin on Sat Dec 16 10:24:49 GMT 2023 , Edited by admin on Sat Dec 16 10:24:49 GMT 2023
PRIMARY
CAS
79896-28-9
Created by admin on Sat Dec 16 10:24:49 GMT 2023 , Edited by admin on Sat Dec 16 10:24:49 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE