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Details

Stereochemistry ACHIRAL
Molecular Formula C21H18O7
Molecular Weight 382.3634
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MOLLICELLIN B

SMILES

CC1=C2C(OC3=C(OC2=O)C(C)=C4C(=O)CC(C)(C)OC4=C3)=C(C=O)C(O)=C1

InChI

InChIKey=OMOOHFQAZTVBPK-UHFFFAOYSA-N
InChI=1S/C21H18O7/c1-9-5-12(23)11(8-22)19-16(9)20(25)27-18-10(2)17-13(24)7-21(3,4)28-14(17)6-15(18)26-19/h5-6,8,23H,7H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C21H18O7
Molecular Weight 382.3634
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
08J2CG9MUA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MOLLICELLIN B
Common Name English
2H,7H-(1,4)BENZODIOXEPINO(3,2-G)-1-BENZOPYRAN-11-CARBOXALDEHYDE, 3,4-DIHYDRO-10-HYDROXY-2,2,5,8-TETRAMETHYL-4,7-DIOXO-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20218569
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
FDA UNII
08J2CG9MUA
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
152839
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
68455-07-2
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