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Details

Stereochemistry ACHIRAL
Molecular Formula C22H19ClO8
Molecular Weight 446.834
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MOLLICELLIN E

SMILES

COC1=C(C(=O)C=C(C)C)C(C)=C2OC3=C(C=O)C(O)=C(Cl)C(C)=C3C(=O)OC2=C1O

InChI

InChIKey=JTGLZOMMRQOKBM-UHFFFAOYSA-N
InChI=1S/C22H19ClO8/c1-8(2)6-12(25)13-10(4)18-21(17(27)20(13)29-5)31-22(28)14-9(3)15(23)16(26)11(7-24)19(14)30-18/h6-7,26-27H,1-5H3

HIDE SMILES / InChI

Molecular Formula C22H19ClO8
Molecular Weight 446.834
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 17:50:34 GMT 2023
Edited
by admin
on Fri Dec 15 17:50:34 GMT 2023
Record UNII
U7PT6U11O9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MOLLICELLIN E
Common Name English
11H-DIBENZO(B,E)(1,4)DIOXEPIN-4-CARBOXALDEHYDE, 2-CHLORO-3,9-DIHYDROXY-8-METHOXY-1,6-DIMETHYL-7-(3-METHYL-1-OXO-2-BUTEN-1-YL)-11-OXO-
Systematic Name English
Code System Code Type Description
PUBCHEM
50201
Created by admin on Fri Dec 15 17:50:34 GMT 2023 , Edited by admin on Fri Dec 15 17:50:34 GMT 2023
PRIMARY
CAS
68455-10-7
Created by admin on Fri Dec 15 17:50:34 GMT 2023 , Edited by admin on Fri Dec 15 17:50:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID50218572
Created by admin on Fri Dec 15 17:50:34 GMT 2023 , Edited by admin on Fri Dec 15 17:50:34 GMT 2023
PRIMARY
FDA UNII
U7PT6U11O9
Created by admin on Fri Dec 15 17:50:34 GMT 2023 , Edited by admin on Fri Dec 15 17:50:34 GMT 2023
PRIMARY