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Details

Stereochemistry EPIMERIC
Molecular Formula C15H18O6
Molecular Weight 294.2998
Optical Activity ( + )
Defined Stereocenters 6 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MERRILACTONE A

SMILES

[H][C@@]12OC3(C)[C@@H](O)C[C@]4(OC(=O)C[C@@]134)[C@]5(C)COC(=O)[C@]25C

InChI

InChIKey=RJVZPYYKUUJWSI-OTRJQXFMSA-N
InChI=1S/C15H18O6/c1-11-6-19-10(18)12(11,2)9-14-5-8(17)20-15(11,14)4-7(16)13(14,3)21-9/h7,9,16H,4-6H2,1-3H3/t7-,9-,11+,12-,13?,14+,15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H18O6
Molecular Weight 294.2998
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 6 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
DZS2XP3QH2
Record Status Validated (UNII)
Record Version