Cas no 20053-66-1 (dihydroagarofuran)

dihydroagarofuran structure
dihydroagarofuran structure
Product Name:dihydroagarofuran
CAS No:20053-66-1
MF:C15H26O
MW:222.366344928741
CID:908927
PubChem ID:10775429
Update Time:2025-04-19

dihydroagarofuran Chemical and Physical Properties

Names and Identifiers

    • dihydroagarofuran
    • (1S,2R,6S,9R)-2,6,10,10-Tetramethyl-11-oxatricyclo[7.2.1.0~1,6~]dodecane
    • 2H-3,9a-methano-1-benzoxepin, octahydro-2,2,5a,9-tetramethyl-, (3R,5aS,9R,9aS)-
    • (1S,2S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecane
    • isodihydroagarofuran
    • Deoxyisobaimuxinol
    • 20053-66-1
    • 2H-3,9a-Methano-1-benzoxepin, octahydro-2,2,5a,9-tetramethyl-, (3R-(3alpha,5aalpha,9beta,9aalpha))-
    • alpha-Dihydroagarofuran
    • Inchi: 1S/C15H26O/c1-11-6-5-8-14(4)9-7-12-10-15(11,14)16-13(12,2)3/h11-12H,5-10H2,1-4H3/t11-,12+,14-,15-/m0/s1
    • InChI Key: HVAVUZLEYSAYGE-NEBZKDRISA-N
    • SMILES: O1C(C)(C)[C@@H]2CC[C@]3(C)CCC[C@H](C)[C@]13C2

Computed Properties

  • Exact Mass: 222.19848
  • Monoisotopic Mass: 222.198365449g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 0
  • Complexity: 309
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.9
  • Topological Polar Surface Area: 9.2?2

Experimental Properties

  • PSA: 9.23

dihydroagarofuran Related Literature

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