Cas no 36011-19-5 (Cytochalasin E)

Cytochalasin E structure
Cytochalasin E structure
Product Name:Cytochalasin E
CAS No:36011-19-5
MF:C28H33NO7
MW:495.564128637314
MDL:MFCD00005178
CID:313181
PubChem ID:24892467
Update Time:2025-09-27

Cytochalasin E Chemical and Physical Properties

Names and Identifiers

    • [1,3]Dioxacyclotridecino[4,5-d]oxireno[f]isoindole-5,10,12(4H,6H)-trione,3,13,14,14a,15,15a,16a,16b-octahydro-6-hydroxy-4,6,15,15a-tetramethyl-14-(phenylmethyl)-,(1E,4S,6R,7E,11aS,14S,14aS,15S,15aR,16aS,16bS)-
    • Cytochalasin E
    • [1,3]Dioxacyclotridecino[4,5-d]oxireno[f]isoindole-5,10,12(4H,6H)-trione,3,13,14,14a,15,15a,16...
    • [1,3]Dioxacyclotridecino[4,5-d]oxireno[f]isoindole-5,10,12(4H,6H)-trione,3,13,14,14a,15,15a,16a,16b-octahydro-6-hydroxy-4,6,1
    • Cytochalasin E, Aspergillus clavatus
    • (7s,13e,16s,18r,19e)-18-dimethyl-10-phenyl
    • CYTOCHALACINE
    • CYTOCHALASIN 3
    • CYTOCHALICINE
    • HSCI1_000177
    • 21,23-Dioxa[13]cytochalasa-13,19-diene-1,17,22-trione, 6,7-epoxy-18-hydroxy-16,18-dimethyl-10-phenyl
    • MFCD00005178
    • Cytochalasin E from Aspergillus clavatus
    • 21,19-diene-1,17,22-trione, 6,7-epoxy-18-hydroxy-16,18-dimethyl-10-phenyl-, (7S,13E,16S,18R,19E)-
    • CHEBI:68201
    • 36011-19-5
    • NSC175151
    • 21,23-Dioxa(13)cytochalasa-13,19-diene-1,17,22-trione, 6,7-epoxy-18-hydroxy-16,18-dimethyl-10-phenyl-, (7S,13E,16S,18R,19E)-
    • SCHEMBL33617
    • NCGC00380287-01
    • CHEMBL494856
    • Q5201338
    • AKOS040741587
    • EINECS 252-835-7
    • NSC 175151
    • 6,7-Epoxy-10-phenyl-5,6,16,18-tetramethyl-21,23-dioxa-(13)cytochalas-13,19-diene-17,22-dione
    • DTXSID60894866
    • NSC-175151
    • CCG-39859
    • CS-0093424
    • HSDB 3548
    • HY-N6772
    • FT-0603141
    • Neuro_000100
    • 15-benzyl-6,12-dihydroxy-6,13,14-trimethyl-2H,6H,7H,8H,9H,12H,13H,14H,14aH,15H,16H,17H,17bH-1,3-dioxacyclotrideca[5,4-e]isoindole-2,7,17-trione
    • 6,7-EPOXY-10-PHENYL-5,6,16,18-TETRAMETHYL-21,23-DIOXA-
    • (1E,4S,6R,7E,11aS,14S,14aS,15S,15aR,16aS,16bS)-14-Benzyl-6-hydroxy-4,6,15,15a-tetramethyl-3,13,14,14a,15,15a,16a,16b-octahydro(1,3)dioxacyclotridecino(4,5-d)oxireno(f)isoindole-5,10,12(4H,6H)-trione
    • 21,23-Dioxa[13]cytochalasa-13,19-diene-1,17,22-trione, 6,7-epoxy-18-hydroxy-16,18-dimethyl-10-phenyl-, (7S,13E,16S,18R,19E)-
    • (1S,5E,7R,9S,11E,13S,14S,16R,17S,18S,19S)-19-benzyl-7-hydroxy-7,9,16,17-tetramethyl-2,4,15-trioxa-20-azatetracyclo(11.8.0.01,18.014,16)henicosa-5,11-diene-3,8,21-trione
    • (1S,5E,7R,9S,11E,13S,14S,16R,17S,18S,19S)-19-benzyl-7-hydroxy-7,9,16,17-tetramethyl-2,4,15-trioxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-5,11-diene-3,8,21-trione
    • G12049
    • 15-benzyl-6,12-dihydroxy-6,13,14-trimethyl-2H,6H,7H,8H,9H,12H,13H,14H,14aH,15H,16H,17H,17bH-1,3-dioxacyclotrideca(5,4-e)isoindole-2,7,17-trione
    • LAJXCUNOQSHRJO-ZYGJITOWSA-N
    • 21,23Dioxa(13)cytochalasa13,19diene1,17,22trione, 6,7epoxy18hydroxy16,18dimethyl10phenyl, (7S,13E,16S,18R,19E)
    • (1E,4S,6R,7E,11aS,14S,14aS,15S,15aR,16aS,16bS)-14-Benzyl-6-hydroxy-4,6,15,15a-tetramethyl-3,13,14,14a,15,15a,16a,16b-octahydro[1,3]dioxacyclotridecino[4,5-d]oxireno[f]isoindole-5,10,12(4H,6H)-trione
    • 6,7Epoxy10phenyl5,6,16,18tetramethyl21,23dioxa(13)cytochalas13,19diene17,22dione
    • DTXCID701324428
    • MDL: MFCD00005178
    • Inchi: 1S/C28H33NO7/c1-16-9-8-12-19-23-27(4,35-23)17(2)21-20(15-18-10-6-5-7-11-18)29-24(31)28(19,21)36-25(32)34-14-13-26(3,33)22(16)30/h5-8,10-14,16-17,19-21,23,33H,9,15H2,1-4H3,(H,29,31)/b12-8+,14-13+/t16-,17-,19-,20-,21-,23-,26+,27+,28+/m0/s1
    • InChI Key: LAJXCUNOQSHRJO-ZYGJITOWSA-N
    • SMILES: O1[C@H]2[C@@H]3C=CC[C@H](C)C([C@@](C)(C=COC(=O)O[C@@]43C(N[C@@H](CC3C=CC=CC=3)[C@@H]4[C@H](C)[C@@]12C)=O)O)=O |t:3,11|

Computed Properties

  • Exact Mass: 495.22600
  • Monoisotopic Mass: 495.22570239g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 2
  • Complexity: 986
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 9
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.5
  • Topological Polar Surface Area: 115
  • Surface Charge: 0

Experimental Properties

  • Density: 1.2415 (rough estimate)
  • Melting Point: 206 °C
  • Boiling Point: 587.59°C (rough estimate)
  • Refractive Index: 1.6290 (estimate)
  • PSA: 114.46000
  • LogP: 3.41770

Cytochalasin E Security Information

  • Symbol: GHS06 GHS08
  • Signal Word:Danger
  • Hazard Statement: H300-H310-H330-H361
  • Warning Statement: P260-P264-P280-P284-P301+P310-P302+P350
  • Hazardous Material transportation number:UN 1544 6.1/PG 2
  • WGK Germany:3
  • Hazard Category Code: 63-26/27/28
  • Safety Instruction: 28-36/37-45
  • FLUKA BRAND F CODES:10
  • RTECS:HA5360000
  • Hazardous Material Identification: T+
  • Hazard Level:6.1(a)
  • HazardClass:6.1(a)
  • PackingGroup:I
  • Storage Condition:?20°C
  • Safety Term:6.1(a)
  • Risk Phrases:R26/27/28

Cytochalasin E Customs Data

  • HS CODE:29349990

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