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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 A

SMILES

CC1=C2C(OC3=C(OC2=O)C=C4OC(C)(C)CC(=O)C4=C3C)=C(C=O)C(O)=C1

InChI

InChIKey=UGFXPOLXTFFCRX-UHFFFAOYSA-N
InChI=1S/C21H18O7/c1-9-5-12(23)11(8-22)19-16(9)20(25)26-15-6-14-17(10(2)18(15)27-19)13(24)7-21(3,4)28-14/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 Sat Dec 16 05:44:28 GMT 2023
Edited
by admin
on Sat Dec 16 05:44:28 GMT 2023
Record UNII
9MS425049B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MOLLICELLIN A
Common Name English
2H,11H-(1,4)BENZODIOXEPINO(2,3-G)-1-BENZOPYRAN-7-CARBOXALDEHYDE, 3,4-DIHYDRO-8-HYDROXY-2,2,5,10-TETRAMETHYL-4,11-DIOXO-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID60218568
Created by admin on Sat Dec 16 05:44:28 GMT 2023 , Edited by admin on Sat Dec 16 05:44:28 GMT 2023
PRIMARY
PUBCHEM
152838
Created by admin on Sat Dec 16 05:44:28 GMT 2023 , Edited by admin on Sat Dec 16 05:44:28 GMT 2023
PRIMARY
FDA UNII
9MS425049B
Created by admin on Sat Dec 16 05:44:28 GMT 2023 , Edited by admin on Sat Dec 16 05:44:28 GMT 2023
PRIMARY
CAS
68455-06-1
Created by admin on Sat Dec 16 05:44:28 GMT 2023 , Edited by admin on Sat Dec 16 05:44:28 GMT 2023
PRIMARY