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Details

Stereochemistry ACHIRAL
Molecular Formula C21H17ClO7
Molecular Weight 416.808
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MOLLICELLIN M

SMILES

CC1=C2OC(=O)C3=C(C)C(Cl)=C(O)C(C=O)=C3OC2=CC4=C1C(=O)CC(C)(C)O4

InChI

InChIKey=LBLDXSZDCOFIAT-UHFFFAOYSA-N
InChI=1S/C21H17ClO7/c1-8-15-19(10(7-23)17(25)16(8)22)27-13-5-12-14(9(2)18(13)28-20(15)26)11(24)6-21(3,4)29-12/h5,7,25H,6H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C21H17ClO7
Molecular Weight 416.808
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 08:28:37 GMT 2023
Edited
by admin
on Sat Dec 16 08:28:37 GMT 2023
Record UNII
XOG346ACOO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MOLLICELLIN M
Common Name English
2H,7H-1-BENZOPYRANO(7,6-B)(1,4)BENZODIOXEPIN-11-CARBOXALDEHYDE, 9-CHLORO-3,4-DIHYDRO-10-HYDROXY-2,2,5,8-TETRAMETHYL-4,7-DIOXO-
Systematic Name English
Code System Code Type Description
PUBCHEM
44254338
Created by admin on Sat Dec 16 08:28:37 GMT 2023 , Edited by admin on Sat Dec 16 08:28:37 GMT 2023
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FDA UNII
XOG346ACOO
Created by admin on Sat Dec 16 08:28:37 GMT 2023 , Edited by admin on Sat Dec 16 08:28:37 GMT 2023
PRIMARY
CAS
1179374-66-3
Created by admin on Sat Dec 16 08:28:37 GMT 2023 , Edited by admin on Sat Dec 16 08:28:37 GMT 2023
PRIMARY
EPA CompTox
DTXSID901103983
Created by admin on Sat Dec 16 08:28:37 GMT 2023 , Edited by admin on Sat Dec 16 08:28:37 GMT 2023
PRIMARY