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Details

Stereochemistry ACHIRAL
Molecular Formula C20H22O4
Molecular Weight 326.3863
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DENTATIN

SMILES

COC1=C2C=CC(=O)OC2=C(C3=C1C=CC(C)(C)O3)C(C)(C)C=C

InChI

InChIKey=QBFYQVZGIDUNIY-UHFFFAOYSA-N
InChI=1S/C20H22O4/c1-7-19(2,3)15-17-12(8-9-14(21)23-17)16(22-6)13-10-11-20(4,5)24-18(13)15/h7-11H,1H2,2-6H3

HIDE SMILES / InChI

Molecular Formula C20H22O4
Molecular Weight 326.3863
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 12:56:52 GMT 2023
Edited
by admin
on Sat Dec 16 12:56:52 GMT 2023
Record UNII
QS6H8T54ZE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DENTATIN
Common Name English
Poncitrin
Common Name English
NSC-380684
Code English
2H,8H-Benzo[1,2-b:5,4-b′]dipyran-2-one, 10-(1,1-dimethyl-2-propen-1-yl)-5-methoxy-8,8-dimethyl-
Systematic Name English
2H,8H-Benzo[1,2-b:5,4-b′]dipyran-2-one, 10-(1,1-dimethylallyl)-5-methoxy-8,8-dimethyl-
Systematic Name English
10-(1,1-Dimethyl-2-propen-1-yl)-5-methoxy-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b′]dipyran-2-one
Systematic Name English
5-methoxy-8,8-dimethyl-10-(2-methylbut-3-en-2-yl)-2H,8H-pyrano[3,2-g]chromen-2-one
Systematic Name English
Code System Code Type Description
PUBCHEM
342801
Created by admin on Sat Dec 16 12:56:52 GMT 2023 , Edited by admin on Sat Dec 16 12:56:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID80177527
Created by admin on Sat Dec 16 12:56:52 GMT 2023 , Edited by admin on Sat Dec 16 12:56:52 GMT 2023
PRIMARY
CAS
22980-57-0
Created by admin on Sat Dec 16 12:56:52 GMT 2023 , Edited by admin on Sat Dec 16 12:56:52 GMT 2023
PRIMARY
NSC
380684
Created by admin on Sat Dec 16 12:56:52 GMT 2023 , Edited by admin on Sat Dec 16 12:56:52 GMT 2023
PRIMARY
FDA UNII
QS6H8T54ZE
Created by admin on Sat Dec 16 12:56:52 GMT 2023 , Edited by admin on Sat Dec 16 12:56:52 GMT 2023
PRIMARY