Cas no 14694-15-6 (Codaphniphylline)

Codaphniphylline structure
Codaphniphylline structure
Product Name:Codaphniphylline
CAS No:14694-15-6
MF:C30H47NO3
MW:469.699089288712
CID:174938
PubChem ID:12303733
Update Time:2024-11-02

Codaphniphylline Chemical and Physical Properties

Names and Identifiers

    • 1-Propanone,1-[(1R,4R,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl]-3-[(3aR,4S,4aS,5R,8S,8aR,8bS,10S)-octahydro-8-methyl-5-(1-methylethyl)-4,8,3a-[1,2,4]butanetriylcyclopent[b]indol-8a(4aH)-yl]-
    • Codaphniphylline
    • 1-Propanone,1-[(1R,4R,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl]-3-[(3aR,4S,4aS,5R,8S,8...
    • 1-Propanone,1-[(1R,4R,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl]-3-[(3aR,4S,4aS,5R,8S,8aR,8bS,10S)-octahydro-8-methyl-
    • (+)-Codaphniphylline
    • 1-Propanone,1-(1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl)-3-[octahydro-8-methyl-5-(1-methylethyl)-4,8,3a-[1,2,4]butanetriylcyclopent[b]indol-8a(4aH)-yl]-,[3aR-[3aa,4a,4ab,5b,8a,8ab(1R*,4R*,5S*),8ba,10S*]]-
    • Daphnan-23-one,23-(1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl)-, [23(1R,4R,5S)]- (8CI)
    • [ "" ]
    • 23-[(1R,4R,5S)-1,4-Dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl]daphnan-23-one
    • CID 138113965
    • 1-[(1S,4S,5R)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-4-yl]-3-[(1R,2S,3R,10R,13R,14S)-1-methyl-14-propan-2-yl-12-azapentacyclo[8.6.0.0^{2,13.0^{3,7.0^{7,12]hexadecan-2-yl]propan-1-one
    • 14694-15-6
    • Inchi: 1S/C30H47NO3/c1-19(2)21-9-13-27(4)20-8-15-29-12-6-7-22(29)30(27,25(21)31(29)17-20)16-10-23(32)26(3)18-33-28(5)14-11-24(26)34-28/h19-22,24-25H,6-18H2,1-5H3
    • InChI Key: REKWVHVBDQXQLB-UHFFFAOYSA-N
    • SMILES: CC(C1C2C3(C(CC1)(C1CCC4(C3CCC4)N2C1)C)CCC(=O)C1(COC2(CCC1O2)C)C)C

Computed Properties

  • Exact Mass: 469.35559436g/mol
  • Monoisotopic Mass: 469.35559436g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 5
  • Complexity: 904
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 10
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 38.8
  • XLogP3: 5.644

Experimental Properties

  • Color/Form: Powder
  • PSA: 38.77000
  • LogP: 5.91070

Codaphniphylline Security Information

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

Codaphniphylline Pricemore >>

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