Cas no 51787-36-1 ((1R,3S,4aR,4bR,7R,9aR,10S,10aR)-3-hydroxy-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid)

(1R,3S,4aR,4bR,7R,9aR,10S,10aR)-3-hydroxy-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid structure
51787-36-1 structure
Product Name:(1R,3S,4aR,4bR,7R,9aR,10S,10aR)-3-hydroxy-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
CAS No:51787-36-1
MF:C19H24O5
MW:332.390866279602
CID:1577112
PubChem ID:21593636
Update Time:2024-02-29

(1R,3S,4aR,4bR,7R,9aR,10S,10aR)-3-hydroxy-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • (1R,3S,4aR,4bR,7R,9aR,10S,10aR)-3-hydroxy-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-3-hydroxy-1-methyl-8-methylene-13-oxo-, (1R,3S,4aR,4bR,7R,9aR,10S,10aR)-
    • 3α,4aα-Dihydroxy-1β-methyl-8-methylenegibbane-1α,10β-dicarboxylic acid 1,4a-lactone
    • Gibberellin A40
    • Gibbane-1,10-dicarboxylic acid, 3,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1α,3α,4aα,4bβ,10β)-
    • Gibberellin A40
    • DTXSID601338030
    • 51787-36-1
    • Inchi： 1S/C19H24O5/c1-9-5-18-6-10(9)3-4-12(18)19-8-11(20)7-17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,14-,17-,18+,19-/m1/s1
    • InChI Key： HHDWSDSMWJQURA-MTVNJVDJSA-N
    • SMILES： O1C([C@]2(C([H])([H])[H])C([H])([H])[C@@]([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])([H])[C@]13[H])C2([H])[H])O[H])=O

Computed Properties

  • Exact Mass: 332.16237386g/mol
  • Monoisotopic Mass: 332.16237386g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 1
  • Complexity: 685
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 83.8?2

(1R,3S,4aR,4bR,7R,9aR,10S,10aR)-3-hydroxy-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid Related Literature

Related Categories

51787-36-1 ((1R,3S,4aR,4bR,7R,9aR,10S,10aR)-3-hydroxy-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid) Related Products

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