Cas no 108050-28-8 (Cytochalasin Npho)

Cytochalasin Npho structure
Cytochalasin Npho structure
Product Name:Cytochalasin Npho
CAS No:108050-28-8
MF:C30H39NO5
MW:493.634369134903
CID:215495
PubChem ID:6442848
Update Time:2025-04-19

Cytochalasin Npho Chemical and Physical Properties

Names and Identifiers

    • 1H-Cycloundec[d]isoindol-1-one,15-(acetyloxy)-2,3,3a,6,6a,9,10,11,12,15-decahydro-6,12-dihydro...
    • 1H-Cycloundec[d]isoindol-1-one,15-(acetyloxy)-2,3,3a,6,6a,9,10,11,12,15-decahydro-6,12-dihydroxy-4,5,10,12-tetramethyl-3-(phe
    • 1H-Cycloundec[d]isoindol-1-one,15-(acetyloxy)-2,3,3a,6,6a,9,10,11,12,15-decahydro-6,12-dihydroxy-4,5,10,12-tetramethyl-3-(phenylmethyl)-,(3S,3aR,6S,6aR,7E,10S,12R,13E,15R,15aR)-
    • Cytochalasin Npho
    • CYTOCHALASINN
    • [11]Cytochalasa-5,13,19-trien-1-one,21-(acetyloxy)-7,18-dihydroxy-16,18-dimethyl-10-phenyl-,(7S,13E,16S,18R,19E,21R)-
    • 1H-Cycloundec[d]isoindol-1-one,15-(acetyloxy)-2,3,3a,6,6a,9,10,11,12,15-decahydro-6,12-dihydroxy-4,5,10,12-tetramethyl-3-(phenylmethyl)-,[3S-(3R*,3aS*,6R*,6aS*,7E,10R*,12S*,13E,15S*,15aS*)]-
    • (7S,13E,16S,18R,19E,21R)-21-Acetyloxy-7,18-dihydroxy-16,18-dimethyl-10-phenyl[11]cytochalasa-5,13,19-trien-1-one
    • 1H-Cycloundec(d)isoindol-1-one,
    • CHEBI:172713
    • 1H-Cycloundec(d)isoindol-1-one, 15-(acetyloxy)-2,3,3a,6,6a,9,10,11,12,15-decahydro-6,12-dihydroxy-4,5,10,12-tetramethyl-3-(phenylmethyl)-, (3S,3aR,6S,6aR,7E,10S,12R,13E,15R,15aR)-
    • 108050-28-8
    • (11)Cytochalasa-5,13,19-trien-1-one, 21-(acetyloxy)-7,18-dihydroxy-16,18-dimethyl-10-phenyl-, (7S,13E,16S,18R,19E,21R)-
    • [(3E,9E)-16-benzyl-5,12-dihydroxy-5,7,13,14-tetramethyl-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9,13-trien-2-yl] acetate
    • 1H-Cycloundec(d)isoindol-1-one, 15-(acetyloxy)-2,3,3a,6,6a,9,10,11,12,15-decahydro-6,12-dihydroxy-4,5,10,12-tetramethyl-3-(phenylmethyl)-, (3S-(3R*,3aS*,6R*,6aS*,7E,10R*,12S*,13E,15S*,15aS*))-
    • Cytochalasin N
    • MLS000563209
    • MLSMR
    • SMR000470864
    • Inchi： 1S/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18,23-27,33,35H,10,16-17H2,1-5H3,(H,31,34)/b13-9+,15-14+
    • InChI Key： WFSYATBEJTUDQA-BBXOWAOSSA-N
    • SMILES： O(C(C)=O)C1C=CC(C)(CC(C)CC=CC2C(C(C)=C(C)C3C(CC4C=CC=CC=4)NC(C321)=O)O)O |t:5,13|

Computed Properties

  • Exact Mass: 493.28282334 g/mol
  • Monoisotopic Mass: 493.28282334 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 4
  • Complexity: 947
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 8
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 95.9
  • Molecular Weight: 493.6

Experimental Properties

  • Density: 1.2
  • Boiling Point: 678.6°Cat760mmHg
  • Flash Point: 364.2°C
  • Refractive Index: 1.595
  • PSA: 99.35000
  • LogP: 4.15810

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