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Details

Stereochemistry ACHIRAL
Molecular Formula C21H17ClO8
Molecular Weight 432.808
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MOLLICELLIN F

SMILES

CC1=C2C(OC3=C(OC2=O)C(O)=C4OC(C)(C)CC(=O)C4=C3C)=C(C=O)C(O)=C1Cl

InChI

InChIKey=BUWVABSQGVRXOI-UHFFFAOYSA-N
InChI=1S/C21H17ClO8/c1-7-12-17(9(6-23)14(25)13(7)22)28-16-8(2)11-10(24)5-21(3,4)30-18(11)15(26)19(16)29-20(12)27/h6,25-26H,5H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C21H17ClO8
Molecular Weight 432.808
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 Fri Dec 15 17:46:05 GMT 2023
Edited
by admin
on Fri Dec 15 17:46:05 GMT 2023
Record UNII
12JN3G4938
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MOLLICELLIN F
Common Name English
2H,11H-(1,4)BENZODIOXEPINO(2,3-G)-1-BENZOPYRAN-7-CARBOXALDEHYDE, 9-CHLORO-3,4-DIHYDRO-8,13-DIHYDROXY-2,2,5,10-TETRAMETHYL-4,11-DIOXO-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70218574
Created by admin on Fri Dec 15 17:46:05 GMT 2023 , Edited by admin on Fri Dec 15 17:46:05 GMT 2023
PRIMARY
PUBCHEM
152841
Created by admin on Fri Dec 15 17:46:05 GMT 2023 , Edited by admin on Fri Dec 15 17:46:05 GMT 2023
PRIMARY
CAS
68455-12-9
Created by admin on Fri Dec 15 17:46:05 GMT 2023 , Edited by admin on Fri Dec 15 17:46:05 GMT 2023
PRIMARY
FDA UNII
12JN3G4938
Created by admin on Fri Dec 15 17:46:05 GMT 2023 , Edited by admin on Fri Dec 15 17:46:05 GMT 2023
PRIMARY