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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H29ClO5
Molecular Weight 420.926
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of ASCOFURANONE

SMILES

C\C(CC\C=C(/C)[C@@H]1CC(=O)C(C)(C)O1)=C/CC2=C(O)C(Cl)=C(C)C(C=O)=C2O

InChI

InChIKey=VGYPZLGWVQQOST-JUERRSSISA-N
InChI=1S/C23H29ClO5/c1-13(7-6-8-14(2)18-11-19(26)23(4,5)29-18)9-10-16-21(27)17(12-25)15(3)20(24)22(16)28/h8-9,12,18,27-28H,6-7,10-11H2,1-5H3/b13-9+,14-8+/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H29ClO5
Molecular Weight 420.926
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
I31EFB9515
Record Status Validated (UNII)
Record Version