Cas no 35214-68-7 ((1S,2S,4aS,4bS,5S,7S,9aR,10S,10aR)-2,5-dihydroxy-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid)

(1S,2S,4aS,4bS,5S,7S,9aR,10S,10aR)-2,5-dihydroxy-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid structure
35214-68-7 structure
Product Name:(1S,2S,4aS,4bS,5S,7S,9aR,10S,10aR)-2,5-dihydroxy-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
CAS No:35214-68-7
MF:C19H24O6
MW:348.390266418457
CID:1468632
Update Time:2024-02-29

(1S,2S,4aS,4bS,5S,7S,9aR,10S,10aR)-2,5-dihydroxy-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • (1S,2S,4aS,4bS,5S,7S,9aR,10S,10aR)-2,5-dihydroxy-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
    • 4a,1-(epoxymethano)-7,9a-methanobenz[a]azulene-10-carboxylic acid, dodecahydro-2,5-dihydroxy-1-methyl-8-methylene-13-oxo-, (1S,2S,4aS,4bS,5S,7S,9aR,10S,10aR)-
    • 2β,4aα,5β-Trihydroxy-1β-methyl-8-methylenegibbane-1α,10β-dicarboxylic acid 1,4a-lactone
    • Gibberellin A35
    • gibberelin A35
    • Gibbane-1,10-dicarboxylic acid, 2,4a,5-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1α,2β,4aα,4bβ,5β,10β)- (9CI)
    • GA35
    • Inchi： 1S/C19H24O6/c1-8-6-18-7-9(8)5-10(20)13(18)19-4-3-11(21)17(2,16(24)25-19)14(19)12(18)15(22)23/h9-14,20-21H,1,3-7H2,2H3,(H,22,23)/t9-,10+,11+,12-,13-,14-,17-,18-,19-/m1/s1
    • InChI Key： NYLKJADFYRJQOI-DMQYUYNFSA-N
    • SMILES： O1C([C@]2(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])[C@]31[C@]2([H])[C@]([H])(C(=O)O[H])[C@]12C([H])([H])C(=C([H])[H])[C@]([H])(C([H])([H])[C@@]([H])([C@]13[H])O[H])C2([H])[H])O[H])=O

Computed Properties

  • Exact Mass: 348.157
  • Monoisotopic Mass: 348.157
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 1
  • Complexity: 717
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 104A^2
  • XLogP3: 0.457

Experimental Properties

  • Density: 1.455
  • Boiling Point: 618.169°C at 760 mmHg
  • Flash Point: 226.387°C
  • Refractive Index: 1.636

(1S,2S,4aS,4bS,5S,7S,9aR,10S,10aR)-2,5-dihydroxy-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid Related Literature

Related Categories

35214-68-7 ((1S,2S,4aS,4bS,5S,7S,9aR,10S,10aR)-2,5-dihydroxy-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid) Related Products

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