Cas no 18045-83-5 ((6z,10e)-9-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one)

(6z,10e)-9-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one structure
18045-83-5 structure
Product Name:(6z,10e)-9-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
CAS No:18045-83-5
MF:C15H20O3
MW:248.317504882813
CID:906851
PubChem ID:5382248
Update Time:2025-04-19

(6z,10e)-9-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one Chemical and Physical Properties

Names and Identifiers

    • (6z,10e)-9-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
    • 3α-Hydroxycostunolide
    • Tamaulipin B
    • (3aS,6E,9R,10E,11aR)-3a,4,5,8,9,11a-Hexahydro-9-hydroxy-6,10-dimethyl-3-methylenecyclodeca[b]furan-2(3H)-one
    • DTXSID00419219
    • NSC-135019
    • 18045-83-5
    • 3alpha-Hydroxycostunolide
    • AKOS040740290
    • NSC135019
    • Hanphillin
    • Inchi: 1S/C15H20O3/c1-9-4-6-12-11(3)15(17)18-14(12)8-10(2)13(16)7-5-9/h5,8,12-14,16H,3-4,6-7H2,1-2H3
    • InChI Key: XQVSREKNQZKAKU-UHFFFAOYSA-N
    • SMILES: CC1CCC2C(OC(C2=C)=O)C=C(C)C(O)CC=1

Computed Properties

  • Exact Mass: 248.1413
  • Monoisotopic Mass: 248.141
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 0
  • Complexity: 431
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1
  • Topological Polar Surface Area: 46.5A^2

Experimental Properties

  • Density: 1.11
  • Boiling Point: 440.9°C at 760 mmHg
  • Flash Point: 187.8°C
  • Refractive Index: 1.538
  • PSA: 46.53
  • LogP: 2.52160
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