Cas no 41410-53-1 (Gymnomitrol)

Gymnomitrol structure
Gymnomitrol structure
Product Name:Gymnomitrol
CAS No:41410-53-1
MF:C15H24O
MW:220.350464820862
CID:2004361
Update Time:2025-04-21

Gymnomitrol Chemical and Physical Properties

Names and Identifiers

    • Gymnomitrol
    • (3aS,9S)-Decahydro-3aβ,4,8aβ-trimethyl-7-methylene-4β,8β-methanoazulen-9-ol
    • Inchi: 1S/C15H24O/c1-10-6-9-14(3)12(16)11(10)13(2)7-5-8-15(13,14)4/h11-12,16H,1,5-9H2,2-4H3/t11-,12+,13-,14+,15-/m0/s1
    • InChI Key: JKHYQMRSAYOHOA-ZQNQSHIBSA-N
    • SMILES: C1C(=C)[C@H]2[C@H]([C@](C)([C@]3(CCC[C@]32C)C)C1)O

Computed Properties

  • Exact Mass: 220.183
  • Monoisotopic Mass: 220.183
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 0
  • Complexity: 360
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 20.2A^2
  • XLogP3: 4.022
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