Cas no 59979-57-6 (Propanoic acid,2-methyl-,(3aR,4R,6R,9R,10Z,11aR)-2,3,3a,4,5,6,9,11a-octahydro-9-hydroxy-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-ylester)

Propanoic acid,2-methyl-,(3aR,4R,6R,9R,10Z,11aR)-2,3,3a,4,5,6,9,11a-octahydro-9-hydroxy-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-ylester structure
59979-57-6 structure
Product Name:Propanoic acid,2-methyl-,(3aR,4R,6R,9R,10Z,11aR)-2,3,3a,4,5,6,9,11a-octahydro-9-hydroxy-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-ylester
CAS No:59979-57-6
MF:C19H24O6
MW:348.390266418457
CID:381976
PubChem ID:5281501
Update Time:2025-04-19

Propanoic acid,2-methyl-,(3aR,4R,6R,9R,10Z,11aR)-2,3,3a,4,5,6,9,11a-octahydro-9-hydroxy-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-ylester Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid,2-methyl-,(3aR,4R,6R,9R,10Z,11aR)-2,3,3a,4,5,6,9,11a-octahydro-9-hydroxy-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-ylester
    • Tagitinin F
    • Propanoic acid,2-methyl-,(3aR,4R,6R,9R,10Z,11aR)-2,3,3a,4,5,6,9,11a-octahydro-9-hydroxy-6,10-d...
    • Propanoic acid,2-methyl-,(3aR,4R,6R,9R,10Z,11aR)-2,3,3a,4,5,6,9,11a-octahydro-9-hydroxy-6,10-dimethyl-3-methylene-2-oxo-6,9-e
    • tagitinin-F
    • [ "" ]
    • FS-8850
    • CHEBI:9390
    • NSC 291860
    • CS-0016475
    • DTXSID301318122
    • Q27108374
    • C09554
    • 59979-57-6
    • HY-N1184
    • AKOS040762391
    • [(1R,2Z,4R,8R,9R,11R)-1-Hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-2,12-dien-9-yl] 2-methylpropanoate
    • ((1R,2Z,4R,8R,9R,11R)-1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo(9.2.1.04,8)tetradeca-2,12-dien-9-yl) 2-methylpropanoate
    • ((E)-2-((3aR,4R,6R,6aS,7R,9aR,9bR)-7-acetoxy-9-methyl-3-methylene-2-oxo-spiro(4,5,6a,7,9a,9b-hexahydro-3aH-azuleno(4,5-b)furan-6,2'-oxirane)-4-yl)oxycarbonylbut-2-enyl) (E)-2-(hydroxymethyl)but-2-enoate
    • [(E)-2-[(3aR,4R,6R,6aS,7R,9aR,9bR)-7-acetoxy-9-methyl-3-methylene-2-oxo-spiro[4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-6,2'-oxirane]-4-yl]oxycarbonylbut-2-enyl] (E)-2-(hydroxymethyl)but-2-enoate
    • Inchi： 1S/C19H24O6/c1-10(2)16(20)24-14-9-18(5)6-7-19(22,25-18)11(3)8-13-15(14)12(4)17(21)23-13/h6-8,10,13-15,22H,4,9H2,1-3,5H3/b11-8-/t13-,14-,15+,18+,19-/m1/s1
    • InChI Key： XJUPOHKZSDZNBE-QDHYIOMWSA-N
    • SMILES： O1[C@@]2(C=C[C@@]1(C)C[C@H]([C@H]1C(=C)C(=O)O[C@@H]1C=C2C)OC(C(C)C)=O)O |c:17|

Computed Properties

  • Exact Mass: 348.15700
  • Monoisotopic Mass: 348.157
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 3
  • Complexity: 690
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 82.1A^2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.24
  • Boiling Point: 512.9°Cat760mmHg
  • Flash Point: 181.1°C
  • Refractive Index: 1.557
  • PSA: 82.06000
  • LogP: 2.03570
  • Vapor Pressure: 0.0±3.0 mmHg at 25°C

Propanoic acid,2-methyl-,(3aR,4R,6R,9R,10Z,11aR)-2,3,3a,4,5,6,9,11a-octahydro-9-hydroxy-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-ylester Security Information

Propanoic acid,2-methyl-,(3aR,4R,6R,9R,10Z,11aR)-2,3,3a,4,5,6,9,11a-octahydro-9-hydroxy-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-ylester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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A2B Chem LLC
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Propanoic acid,2-methyl-,(3aR,4R,6R,9R,10Z,11aR)-2,3,3a,4,5,6,9,11a-octahydro-9-hydroxy-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-ylester Production Method

Propanoic acid,2-methyl-,(3aR,4R,6R,9R,10Z,11aR)-2,3,3a,4,5,6,9,11a-octahydro-9-hydroxy-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-ylester Related Literature

Related Categories

59979-57-6 (Propanoic acid,2-methyl-,(3aR,4R,6R,9R,10Z,11aR)-2,3,3a,4,5,6,9,11a-octahydro-9-hydroxy-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-ylester) Related Products

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