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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H18O5
Molecular Weight 338.3539
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of GUAIACUM BLUE

SMILES

COC1=C\C(C=CC1=O)=C2/OC(\C(C)=C2C)=C3/C=CC(=O)C(OC)=C3

InChI

InChIKey=NKXIYJZXMOLPIF-LRVMPXQBSA-N
InChI=1S/C20H18O5/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)25-19(11)13-5-7-15(21)17(9-13)23-3/h5-10H,1-4H3/b19-13-,20-14+

HIDE SMILES / InChI

Approval Year

Name Type Language
GUAIACUM BLUE
Common Name English
FUROGUAIACIN BLUE
Common Name English
2,5-CYCLOHEXADIEN-1-ONE, 4,4'-(3,4-DIMETHYL-2,5-FURANDIYLIDENE)BIS(2-METHOXY-
Systematic Name English
Code System Code Type Description
CAS
10039-58-4
Created by admin on Sat Dec 16 12:12:49 GMT 2023 , Edited by admin on Sat Dec 16 12:12:49 GMT 2023
PRIMARY
FDA UNII
QS5C7E9070
Created by admin on Sat Dec 16 12:12:49 GMT 2023 , Edited by admin on Sat Dec 16 12:12:49 GMT 2023
PRIMARY
PUBCHEM
119026203
Created by admin on Sat Dec 16 12:12:49 GMT 2023 , Edited by admin on Sat Dec 16 12:12:49 GMT 2023
PRIMARY