Cas no 143120-46-1 (Neotuberostemonine)

Neotuberostemonine structure
Neotuberostemonine structure
Product Name:Neotuberostemonine
CAS No:143120-46-1
MF:C22H33NO4
MW:375.5017
MDL:MFCD17214798
CID:206178
PubChem ID:11667940
Update Time:2024-11-04

Neotuberostemonine Chemical and Physical Properties

Names and Identifiers

    • Furo[2,3-h]pyrrolo[3,2,1-jk][1]benzazepin-10(2H)-one,8-ethyldodecahydro-11-methyl-2-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-,(2S,7aR,8R,8aR,11S,11aR,11bS,11cR)-
    • Neotuberostemonine
    • (2S,7aR,8R,8aR,11S,11aR,11bS,11cR)-8-Ethyl-11-methyl-2-[(2S,4S)-4 -methyl-5-oxotetrahydro-2-furanyl]dodecahydroazepino[3,2,1-hi]fur o[3,2-e]indol-10(2H)-one
    • Furo[2,3-h]pyrrolo[3,2,1-jk][1]benzazepin-10(2H)-one,8-ethyldodecahydro-11-methyl-2-[(2S,4S)-t...
    • Furo[2,3-h]pyrrolo[3,2,1-jk][1]benzazepin-10(2H)-one,8-ethyldodecahydro-11-methyl-2-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-fura
    • TSLDASIIWAMMQN
    • Tubastatin A
    • Tuberostemonin
    • [ "" ]
    • C22H33NO4
    • W1111
    • 1ST169128
    • (1S,3S,9R,10R,11R,14S,15R,16R)-10-ethyl-14-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecan-13-one
    • CS-0023550
    • MS-26085
    • DTXSID501316122
    • SCHEMBL19197265
    • CHEMBL479493
    • 143120-46-1
    • AKOS032948153
    • Q27137725
    • E80776
    • HY-N3196
    • CHEBI:69386
    • AC-34908
    • DA-66034
    • (1S,3S,9R,10R,11R,14S,15R,16R)-10-ethyl-14-methyl-3-((2S,4S)-4-methyl-5-oxooxolan-2-yl)-12-oxa-4-azatetracyclo(7.6.1.04,16.011,15)hexadecan-13-one
    • MDL: MFCD17214798
    • Inchi: 1S/C22H33NO4/c1-4-13-14-7-5-6-8-23-16(17-9-11(2)21(24)26-17)10-15(19(14)23)18-12(3)22(25)27-20(13)18/h11-20H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16-,17-,18-,19+,20+/m0/s1
    • InChI Key: GYOGHROCTSEKDY-UEIGSNQUSA-N
    • SMILES: O1C([C@@]([H])(C([H])([H])[H])[C@]2([H])[C@@]1([H])[C@]([H])(C([H])([H])C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N3[C@]([H])([C@]4([H])C([H])([H])[C@]([H])(C([H])([H])[H])C(=O)O4)C([H])([H])[C@]2([H])[C@]31[H])=O

Computed Properties

  • Exact Mass: 375.24100
  • Monoisotopic Mass: 375.24095853 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 2
  • Complexity: 636
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 55.8
  • Molecular Weight: 375.5
  • XLogP3: 3.9

Experimental Properties

  • Color/Form: Cryst.
  • PSA: 55.84000
  • LogP: 2.95260

Neotuberostemonine Pricemore >>

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