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Details

Stereochemistry ACHIRAL
Molecular Formula C21H19ClO6
Molecular Weight 402.825
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MOLLICELLIN J

SMILES

CC(C)=CCC1=C(O)C=C2OC3=C(C=O)C(O)=C(Cl)C(C)=C3C(=O)OC2=C1C

InChI

InChIKey=NKSQSZYYPUIJDD-UHFFFAOYSA-N
InChI=1S/C21H19ClO6/c1-9(2)5-6-12-10(3)19-15(7-14(12)24)27-20-13(8-23)18(25)17(22)11(4)16(20)21(26)28-19/h5,7-8,24-25H,6H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C21H19ClO6
Molecular Weight 402.825
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 08:35:16 GMT 2023
Edited
by admin
on Sat Dec 16 08:35:16 GMT 2023
Record UNII
565OPL9D55
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MOLLICELLIN J
Common Name English
11H-DIBENZO(B,E)(1,4)DIOXEPIN-4-CARBOXALDEHYDE, 2-CHLORO-3,7-DIHYDROXY-1,9-DIMETHYL-8-(3-METHYL-2-BUTEN-1-YL)-11-OXO-
Systematic Name English
CID-24787300
Code English
Code System Code Type Description
CAS
1016605-31-4
Created by admin on Sat Dec 16 08:35:16 GMT 2023 , Edited by admin on Sat Dec 16 08:35:16 GMT 2023
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PUBCHEM
24787300
Created by admin on Sat Dec 16 08:35:16 GMT 2023 , Edited by admin on Sat Dec 16 08:35:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID801106758
Created by admin on Sat Dec 16 08:35:16 GMT 2023 , Edited by admin on Sat Dec 16 08:35:16 GMT 2023
PRIMARY
FDA UNII
565OPL9D55
Created by admin on Sat Dec 16 08:35:16 GMT 2023 , Edited by admin on Sat Dec 16 08:35:16 GMT 2023
PRIMARY