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Details

Stereochemistry ACHIRAL
Molecular Formula C22H20O8
Molecular Weight 412.3894
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MOLLICELLIN C

SMILES

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

InChI

InChIKey=RPSLZGPKLQLZGH-UHFFFAOYSA-N
InChI=1S/C22H20O8/c1-9(2)6-14(25)16-11(4)18-21(17(26)20(16)28-5)30-22(27)15-10(3)7-13(24)12(8-23)19(15)29-18/h6-8,24,26H,1-5H3

HIDE SMILES / InChI

Molecular Formula C22H20O8
Molecular Weight 412.3894
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 17:50:35 GMT 2023
Edited
by admin
on Fri Dec 15 17:50:35 GMT 2023
Record UNII
26Q0EO75R3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MOLLICELLIN C
Common Name English
11H-DIBENZO(B,E)(1,4)DIOXEPIN-4-CARBOXALDEHYDE, 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
FDA UNII
26Q0EO75R3
Created by admin on Fri Dec 15 17:50:35 GMT 2023 , Edited by admin on Fri Dec 15 17:50:35 GMT 2023
PRIMARY
CAS
68436-82-8
Created by admin on Fri Dec 15 17:50:35 GMT 2023 , Edited by admin on Fri Dec 15 17:50:35 GMT 2023
PRIMARY
PUBCHEM
50200
Created by admin on Fri Dec 15 17:50:35 GMT 2023 , Edited by admin on Fri Dec 15 17:50:35 GMT 2023
PRIMARY
EPA CompTox
DTXSID60218563
Created by admin on Fri Dec 15 17:50:35 GMT 2023 , Edited by admin on Fri Dec 15 17:50:35 GMT 2023
PRIMARY