Cas no 131484-69-0 (Cyclopropanecarboxylicacid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-,3-(4,5-dihydroxy-2-pentenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester, [1R-[1a[S*(2Z,4S*)],3b(E)]]- (9CI))

Cyclopropanecarboxylicacid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-,3-(4,5-dihydroxy-2-pentenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester, [1R-[1a[S*(2Z,4S*)],3b(E)]]- (9CI) structure
131484-69-0 structure
Product Name:Cyclopropanecarboxylicacid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-,3-(4,5-dihydroxy-2-pentenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester, [1R-[1a[S*(2Z,4S*)],3b(E)]]- (9CI)
CAS No:131484-69-0
MF:C22H30O7
MW:406.469407558441
CID:205306
PubChem ID:6442765
Update Time:2025-04-19

Cyclopropanecarboxylicacid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-,3-(4,5-dihydroxy-2-pentenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester, [1R-[1a[S*(2Z,4S*)],3b(E)]]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Cyclopropanecarboxylicacid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-,3-(4,5-dihydroxy-2-pentenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester, [1R-[1a[S*(2Z,4S*)],3b(E)]]- (9CI)
    • Cyclopropanecarboxylicacid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-,3-(4,5-dihydroxy-2-pentenyl)-2-methyl-4-oxo
    • Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, 3-(4,5-dihydroxy-2-pentenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester, (1R-(1alpha(S*(2Z,4S*)),3beta(E)))-
    • 131484-69-0
    • Inchi： 1S/C22H30O7/c1-12(20(26)28-5)9-16-19(22(16,3)4)21(27)29-18-10-17(25)15(13(18)2)8-6-7-14(24)11-23/h6-7,9,14,16,18-19,23-24H,8,10-11H2,1-5H3/b7-6+,12-9-/t14-,16+,18-,19-/m0/s1
    • InChI Key： IGFVRTQBLONSMV-LGKHTGTKSA-N
    • SMILES： O([C@@H]1C(C)=C(C/C=C/[C@@H](CO)O)C(C1)=O)C([C@@H]1[C@@H](/C=C(\C(=O)OC)/C)C1(C)C)=O

Computed Properties

  • Exact Mass: 406.199153
  • Monoisotopic Mass: 406.199153
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 10
  • Complexity: 772
  • 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: 2.1
  • Topological Polar Surface Area: 110

Experimental Properties

  • Density: 1.22
  • Boiling Point: 561.1°C at 760 mmHg
  • Flash Point: 189°C
  • Refractive Index: 1.549

Cyclopropanecarboxylicacid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-,3-(4,5-dihydroxy-2-pentenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester, [1R-[1a[S*(2Z,4S*)],3b(E)]]- (9CI) Related Literature

131484-69-0 (Cyclopropanecarboxylicacid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-,3-(4,5-dihydroxy-2-pentenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester, [1R-[1a[S*(2Z,4S*)],3b(E)]]- (9CI)) Related Products

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