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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H28O3
Molecular Weight 316.4345
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PETASIN

SMILES

C\C=C(\C)C(=O)O[C@@H]1CCC2=CC(=O)[C@@H](C[C@]2(C)[C@H]1C)C(C)=C

InChI

InChIKey=ISTBXSFGFOYLTM-NZEDGPFZSA-N
InChI=1S/C20H28O3/c1-7-13(4)19(22)23-18-9-8-15-10-17(21)16(12(2)3)11-20(15,6)14(18)5/h7,10,14,16,18H,2,8-9,11H2,1,3-6H3/b13-7-/t14-,16-,18+,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H28O3
Molecular Weight 316.4345
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
9Z0Q32J0QC
Record Status Validated (UNII)
Record Version