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Details

Stereochemistry ACHIRAL
Molecular Formula C21H17ClO8
Molecular Weight 432.808
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MOLLICELLIN F

SMILES

CC1=C2C(OC3=C(OC2=O)C(O)=C4OC(C)(C)CC(=O)C4=C3C)=C(C=O)C(O)=C1Cl

InChI

InChIKey=BUWVABSQGVRXOI-UHFFFAOYSA-N
InChI=1S/C21H17ClO8/c1-7-12-17(9(6-23)14(25)13(7)22)28-16-8(2)11-10(24)5-21(3,4)30-18(11)15(26)19(16)29-20(12)27/h6,25-26H,5H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C21H17ClO8
Molecular Weight 432.808
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
12JN3G4938
Record Status Validated (UNII)
Record Version