Cas no 64305-97-1 ((1R,8aα)-Decahydro-4aβ-methyl-8-methylene-2α-isopropylnaphthalene-1α,5β-diol)

(1R,8aα)-Decahydro-4aβ-methyl-8-methylene-2α-isopropylnaphthalene-1α,5β-diol structure
64305-97-1 structure
Product Name:(1R,8aα)-Decahydro-4aβ-methyl-8-methylene-2α-isopropylnaphthalene-1α,5β-diol
CAS No:64305-97-1
MF:C15H26O2
MW:238.365745067596
CID:528423
Update Time:2024-03-01

(1R,8aα)-Decahydro-4aβ-methyl-8-methylene-2α-isopropylnaphthalene-1α,5β-diol Chemical and Physical Properties

Names and Identifiers

    • 1,5-Naphthalenediol,decahydro-4a-methyl-8-methylene-2-(1-methylethyl)-,(1R,2S,4aS,5S,8aR)-
    • (1R,8aα)-Decahydro-4aβ-methyl-8-methylene-2α-isopropylnaphthalene-1α,5β-diol
    • 1,5-Naphthalenediol,decahydro-4a-methyl-8-methylene-2-(1-methylethyl)-,[1R-(1a,2a,4ab,5b,8aa)]-
    • Chaenocephalol
    • CID 101324785
    • 1,5-Naphthalenediol, decahydro-4a-methyl-8-methylene-2-(1-methylethyl)-, (1R,2S,4aS,5S,8aR)-
    • Voleneol
    • (1S,2S,4aR,5R,8aS)-2-Isopropyl-4a-methyl-8-methylenedecahydro-1,5-naphthalenediol
    • (+)-Polydactin B
    • 1b6a-dihydroxy-4-(15)-eudesmene
    • 1beta,6alpha-dihydroxy-4(14)-eudesmene
    • 1beta,6alpha-Dihydroxyeudesm-4(15)-ene
    • 7-Epi-eudesm-4(15)-ene-1beta,6beta-diol
    • Eudesm-4(15)-ene-1beta,6alpha-diol
    • [1S-(1alpha,2beta,4aalpha,5alpha,8abeta)]-Decahydro-4a-methyl-8-methylene-2-(1-methylethyl)-1,5-naphthalenediol
    • [1S-(1alpha,2beta,4abeta,5beta,8aalpha)]-Decahydro-4a-methyl-8-methylene-2-(1-methylethyl)-1,5-naphthalenediol
    • Platambin
    • Polydactin B
    • Inchi： 1S/C15H26O2/c1-9(2)11-7-8-15(4)12(16)6-5-10(3)13(15)14(11)17/h9,11-14,16-17H,3,5-8H2,1-2,4H3/t11-,12-,13-,14+,15+/m0/s1
    • InChI Key： WKKJGHCXVKEJNU-BTFPBAQTSA-N
    • SMILES： O[C@@H]1[C@H](C(C)C)CC[C@]2(C)[C@H](CCC(=C)[C@H]21)O

Computed Properties

  • Exact Mass: 238.193
  • Monoisotopic Mass: 238.193
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 310
  • 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: 40.5
  • XLogP3: 2.414

Experimental Properties

  • Density: 1.02±0.1 g/cm3(Predicted)
  • Boiling Point: 346.8±42.0 °C(Predicted)
  • pka: 14.74±0.70(Predicted)

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