U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H20O8
Molecular Weight 388.368
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5'-HYDROXYAVERANTIN, (S)-

SMILES

C[C@H](O)CCC[C@H](O)C1=C(O)C2=C(C=C1O)C(=O)C3=CC(O)=CC(O)=C3C2=O

InChI

InChIKey=GGNDESPZSKTNHV-UFBFGSQYSA-N
InChI=1S/C20H20O8/c1-8(21)3-2-4-12(23)17-14(25)7-11-16(20(17)28)19(27)15-10(18(11)26)5-9(22)6-13(15)24/h5-8,12,21-25,28H,2-4H2,1H3/t8-,12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H20O8
Molecular Weight 388.368
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 Sat Dec 16 15:05:42 GMT 2023
Edited
by admin
on Sat Dec 16 15:05:42 GMT 2023
Record UNII
X3B23N1SGC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5'-HYDROXYAVERANTIN, (S)-
Common Name English
5'S-HYDROXYAVERANTIN
Common Name English
9,10-ANTHRACENEDIONE, 2-(1,5-DIHYDROXYHEXYL)-1,3,6,8-TETRAHYDROXY-, (S-(R*,R*))-
Systematic Name English
Code System Code Type Description
FDA UNII
X3B23N1SGC
Created by admin on Sat Dec 16 15:05:42 GMT 2023 , Edited by admin on Sat Dec 16 15:05:42 GMT 2023
PRIMARY
PUBCHEM
25203397
Created by admin on Sat Dec 16 15:05:42 GMT 2023 , Edited by admin on Sat Dec 16 15:05:42 GMT 2023
PRIMARY
CAS
151120-46-6
Created by admin on Sat Dec 16 15:05:42 GMT 2023 , Edited by admin on Sat Dec 16 15:05:42 GMT 2023
PRIMARY
Related Record Type Details
EPIMER -> DIASTEREOISOMER