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Details

Stereochemistry ACHIRAL
Molecular Formula C21H22O5
Molecular Weight 354.3964
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of AURANTIUMAL

SMILES

C\C(CCC(C)(C)C=O)=C/COC1=C2C=CC(=O)OC2=CC3=C1C=CO3

InChI

InChIKey=JBBNVKWFZYFPIG-VGOFMYFVSA-N
InChI=1S/C21H22O5/c1-14(6-9-21(2,3)13-22)7-10-25-20-15-4-5-19(23)26-18(15)12-17-16(20)8-11-24-17/h4-5,7-8,11-13H,6,9-10H2,1-3H3/b14-7+

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
AURANTIUMAL
Common Name English
5-BENZOFURANACRYLIC ACID, 4-((6-FORMYL-3,6-DIMETHYL-2-HEPTENYL)OXY)-6-HYDROXY-, .DELTA.-LACTONE
Systematic Name English
5-HEPTENAL, 2,2,5-TRIMETHYL-7-((7-OXO-7H-FURO(3,2-G)(1)BENZOPYRAN-4-YL)OXY)-
Systematic Name English
5-((3,6-DIMETHYL-6-FORMYL-2-HEPTENYL)OXY)PSORALEN
Common Name English
Code System Code Type Description
PUBCHEM
122201415
Created by admin on Sat Dec 16 12:53:13 GMT 2023 , Edited by admin on Sat Dec 16 12:53:13 GMT 2023
PRIMARY
CAS
6077-79-8
Created by admin on Sat Dec 16 12:53:13 GMT 2023 , Edited by admin on Sat Dec 16 12:53:13 GMT 2023
PRIMARY
FDA UNII
14MZG7GQ2L
Created by admin on Sat Dec 16 12:53:13 GMT 2023 , Edited by admin on Sat Dec 16 12:53:13 GMT 2023
PRIMARY
SUBSTANCE RECORD
Structure of AURANTIUMAL
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