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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H25NO4
Molecular Weight 319.3954
Optical Activity ( + )
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Coronatine, (+)-

SMILES

[H][C@]12CCC(=O)[C@@]1([H])C[C@@H](CC)C=C2C(=O)N[C@]3(C[C@@H]3CC)C(O)=O

InChI

InChIKey=FMGBNISRFNDECK-CZSBRECXSA-N
InChI=1S/C18H25NO4/c1-3-10-7-13-12(5-6-15(13)20)14(8-10)16(21)19-18(17(22)23)9-11(18)4-2/h8,10-13H,3-7,9H2,1-2H3,(H,19,21)(H,22,23)/t10-,11+,12+,13+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H25NO4
Molecular Weight 319.3954
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
WCR4XUE8VB
Record Status Validated (UNII)
Record Version