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

Details

Stereochemistry UNKNOWN
Molecular Formula C30H18O12
Molecular Weight 570.4567
Optical Activity NONE
Additional Stereochemistry Yes
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0
Stereo Comments AXIAL

SHOW SMILES / InChI
Structure of DICATENARIN

SMILES

CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1O)C(=C(O)C=C3O)C4=C(O)C=C(O)C5=C4C(=O)C6=C(O)C(C)=CC(O)=C6C5=O

InChI

InChIKey=UJQQRKKOXCGWSR-UHFFFAOYSA-N
InChI=1S/C30H18O12/c1-7-3-9(31)19-23(25(7)37)29(41)21-15(11(33)5-13(35)17(21)27(19)39)16-12(34)6-14(36)18-22(16)30(42)24-20(28(18)40)10(32)4-8(2)26(24)38/h3-6,31-38H,1-2H3

HIDE SMILES / InChI

Molecular Formula C30H18O12
Molecular Weight 570.4567
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:20:51 GMT 2023
Edited
by admin
on Sat Dec 16 11:20:51 GMT 2023
Record UNII
0ZSD49BY0Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DICATENARIN
Common Name English
1,1'-BIANTHRAQUINONE, 2,2',4,4',5,5',8,8'-OCTAHYDROXY-7,7'-DIMETHYL-
Systematic Name English
CATENARIN DIMER
Common Name English
(1,1'-BIANTHRACENE)-9,9',10,10'-TETRONE, 2,2',4,4',5,5',8,8'-OCTAHYDROXY-7,7'-DIMETHYL-, (+)-
Systematic Name English
Code System Code Type Description
FDA UNII
0ZSD49BY0Q
Created by admin on Sat Dec 16 11:20:51 GMT 2023 , Edited by admin on Sat Dec 16 11:20:51 GMT 2023
PRIMARY
CAS
1065-08-3
Created by admin on Sat Dec 16 11:20:51 GMT 2023 , Edited by admin on Sat Dec 16 11:20:51 GMT 2023
PRIMARY
PUBCHEM
101419730
Created by admin on Sat Dec 16 11:20:51 GMT 2023 , Edited by admin on Sat Dec 16 11:20:51 GMT 2023
PRIMARY