Cas no 1092555-02-6 (Methyl (1R,2S,5S,8R)-2,6-dimethyl-8-oxido-20-oxo-8-azoniahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icosa-13(19),16-diene-17-carboxylate)

Methyl (1R,2S,5S,8R)-2,6-dimethyl-8-oxido-20-oxo-8-azoniahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icosa-13(19),16-diene-17-carboxylate structure
1092555-02-6 structure
Product Name:Methyl (1R,2S,5S,8R)-2,6-dimethyl-8-oxido-20-oxo-8-azoniahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icosa-13(19),16-diene-17-carboxylate
CAS No:1092555-02-6
MF:C23H29NO4
MW:383.480666875839
CID:837297
PubChem ID:102004442
Update Time:2025-04-19

Methyl (1R,2S,5S,8R)-2,6-dimethyl-8-oxido-20-oxo-8-azoniahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icosa-13(19),16-diene-17-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Paxiphylline D
    • Methyl (1R,2S,3R,5R,6S,8R,10S)-2,6-dimethyl-20-oxo-8-azahexacyclo[11.5.1.1<sup>1,5</sup>.0<sup>2,10</sup>.0<sup>3,8</sup>.0<sup>16,19</sup>]icosa-13(19),16-diene-17-carboxylate 8-oxide
    • Longistylumphylline A N-oxide
    • [ "Longistylumphylline A N-oxide" ]
    • Methyl (1R,2S,5S,8R)-2,6-dimethyl-8-oxido-20-oxo-8-azoniahexacyclo[11.5.1.11,5.02,10.03,8.016,19]ico
    • F92828
    • 1092555-02-6
    • FS-10123
    • methyl (1R,2S,3R,5R,6S,10S)-2,6-dimethyl-8-oxido-20-oxo-8-azoniahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icosa-13(19),16-diene-17-carboxylate
    • Methyl (1R,2S,5S,8R)-2,6-dimethyl-8-oxido-20-oxo-8-azoniahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icosa-13(19),16-diene-17-carboxylate
    • Inchi: 1S/C23H29NO4/c1-12-10-24(27)11-14-6-4-13-5-7-15-17(21(26)28-3)9-23(19(13)15)20(25)16(12)8-18(24)22(14,23)2/h12,14,16,18H,4-11H2,1-3H3/t12-,14-,16-,18?,22-,23+,24?/m1/s1
    • InChI Key: KGESJSJJGMUDSQ-UQOKJEIBSA-N
    • SMILES: [O-][N+]12C[C@@H](C)[C@@H]3C([C@@]45CC(C(=O)OC)=C6CCC(CC[C@H](C1)[C@]4(C)C2C3)=C56)=O

Computed Properties

  • Exact Mass: 383.21000
  • Monoisotopic Mass: 383.21
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 2
  • Complexity: 902
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 61.4
  • XLogP3: 1.3

Experimental Properties

  • Color/Form: Brown solid
  • PSA: 72.80000
  • LogP: 3.24710

Methyl (1R,2S,5S,8R)-2,6-dimethyl-8-oxido-20-oxo-8-azoniahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icosa-13(19),16-diene-17-carboxylate Security Information

  • Storage Condition:Store at room temperature, 2-8 ℃ is better

Methyl (1R,2S,5S,8R)-2,6-dimethyl-8-oxido-20-oxo-8-azoniahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icosa-13(19),16-diene-17-carboxylate Pricemore >>

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