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Details

Stereochemistry ACHIRAL
Molecular Formula C21H18O8
Molecular Weight 398.3628
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MOLLICELLIN N

SMILES

CC1=C2C(OC3=C(C)C4=C(OC(C)(C)CC4=O)C(O)=C3OC2=O)=C(C=O)C(O)=C1

InChI

InChIKey=FMZRBSGCMFABIX-UHFFFAOYSA-N
InChI=1S/C21H18O8/c1-8-5-11(23)10(7-22)17-13(8)20(26)28-19-15(25)18-14(9(2)16(19)27-17)12(24)6-21(3,4)29-18/h5,7,23,25H,6H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C21H18O8
Molecular Weight 398.3628
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
0U2A24WM0U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MOLLICELLIN N
Common Name English
2H,11H-1-BENZOPYRANO(6,7-B)(1,4)BENZODIOXEPIN-7-CARBOXALDEHYDE, 3,4-DIHYDRO-8,13-DIHYDROXY-2,2,5,10-TETRAMETHYL-4,11-DIOXO-
Systematic Name English
Code System Code Type Description
FDA UNII
0U2A24WM0U
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
CAS
1179374-69-6
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
PUBCHEM
44254336
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
DTXSID101104832
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