Cas no 131484-61-2 (Cyclopropanecarboxylic acid,3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-,2-methyl-3-(3-oxiranyl-2-propenyl)-4-oxo-2-cyclopenten-1-yl ester, [1R-[1a[S*[Z(R*)]],3b(E)]]- (9CI))

Cyclopropanecarboxylic acid,3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-,2-methyl-3-(3-oxiranyl-2-propenyl)-4-oxo-2-cyclopenten-1-yl ester, [1R-[1a[S*[Z(R*)]],3b(E)]]- (9CI) structure
131484-61-2 structure
Product Name:Cyclopropanecarboxylic acid,3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-,2-methyl-3-(3-oxiranyl-2-propenyl)-4-oxo-2-cyclopenten-1-yl ester, [1R-[1a[S*[Z(R*)]],3b(E)]]- (9CI)
CAS No:131484-61-2
MF:C22H28O6
MW:388.454127311707
CID:236524
PubChem ID:6442759
Update Time:2025-04-19

Cyclopropanecarboxylic acid,3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-,2-methyl-3-(3-oxiranyl-2-propenyl)-4-oxo-2-cyclopenten-1-yl ester, [1R-[1a[S*[Z(R*)]],3b(E)]]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Cyclopropanecarboxylic acid,3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-,2-methyl-3-(3-oxiranyl-2-propenyl)-4-oxo-2-cyclopenten-1-yl ester, [1R-[1a[S*[Z(R*)]],3b(E)]]- (9CI)
    • [(1S)-2-methyl-3-[(E)-3-[(2R)-oxiran-2-yl]prop-2-enyl]-4-oxocyclopent-2-en-1-yl] (1R,3R)-3-[(Z)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
    • Cyclopropanecarboxylic acid,3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-,2-methyl-3-(3-oxiranyl-2-propenyl)-4-oxo-2-
    • 131484-61-2
    • Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, 2-methyl-3-(3-oxiranyl-2-propenyl)-4-oxo-2-cyclopenten-1-yl ester, (1R-(1alpha(S*(Z(R*))),3beta(E)))-
    • Inchi： 1S/C22H28O6/c1-12(20(24)26-5)9-16-19(22(16,3)4)21(25)28-18-10-17(23)15(13(18)2)8-6-7-14-11-27-14/h6-7,9,14,16,18-19H,8,10-11H2,1-5H3/b7-6+,12-9-/t14-,16-,18+,19+/m1/s1
    • InChI Key： FWPTZDIATNBQLU-INLVOOQRSA-N
    • SMILES： O([C@@H]1C(C)=C(C/C=C/[C@@H]2CO2)C(C1)=O)C([C@@H]1[C@@H](/C=C(\C(=O)OC)/C)C1(C)C)=O

Computed Properties

  • Exact Mass: 388.18864
  • Monoisotopic Mass: 388.18858861g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 9
  • Complexity: 785
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.1
  • Topological Polar Surface Area: 82.2?2

Experimental Properties

  • PSA: 82.2

Cyclopropanecarboxylic acid,3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-,2-methyl-3-(3-oxiranyl-2-propenyl)-4-oxo-2-cyclopenten-1-yl ester, [1R-[1a[S*[Z(R*)]],3b(E)]]- (9CI) Related Literature

131484-61-2 (Cyclopropanecarboxylic acid,3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-,2-methyl-3-(3-oxiranyl-2-propenyl)-4-oxo-2-cyclopenten-1-yl ester, [1R-[1a[S*[Z(R*)]],3b(E)]]- (9CI)) Related Products

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