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18-Deoxy-19,20-epoxycytochalasin R

  • Formula: C30H37NO7

  • Molecular weight: 523.60

  • Smiles: CC1CC2C(O2)C3C4C(O4)(C(C5C3(C(C6C(O6)C(C1=O)C)OC(=O)C)C(=O)NC5CC7=CC=CC=C7)C)C

  • Type: Cytochalasan

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18-Deoxy-19,20-epoxycytochalasin R

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
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Names

  • Mycotoxin name: 18-Deoxy-19,20-epoxycytochalasin R

  • First synonym: None

  • Synonyms: 18-Deoxy-19,20-epoxycytochalasin R,[(1R,2S,3R,5S,6S,8S,10S,14S,16R,17S,18R,19S)-19-benzyl-6,8,16,17-tetramethyl-7,21-dioxo-4,11,15-trioxa-20-azahexacyclo[11.8.0.01,18.03,5.010,12.014,16]henicosan-2-yl] acetate,((1R,2S,3R,5S,6S,8S,10S,14S,16R,17S,18R,19S)-19-benzyl-6,8,16,17-tetramethyl-7,21-dioxo-4,11,15-trioxa-20-azahexacyclo(11.8.0.01,18.03,5.010,12.014,16)henicosan-2-yl) acetate,CHEBI:202209

Identifiers / External links

Structure

  • Smiles: CC1CC2C(O2)C3C4C(O4)(C(C5C3(C(C6C(O6)C(C1=O)C)OC(=O)C)C(=O)NC5CC7=CC=CC=C7)C)C

  • Isomeric smiles: C[C@H]1C[C@H]2C(O2)C3[C@H]4[C@](O4)([C@H]([C@@H]5[C@@]3([C@@H]([C@H]6[C@@H](O6)[C@@H](C1=O)C)OC(=O)C)C(=O)N[C@H]5CC7=CC=CC=C7)C)C

  • Inchi: InChI=1S/C30H37NO7/c1-13-11-19-24(36-19)21-26-29(5,38-26)15(3)20-18(12-17-9-7-6-8-10-17)31-28(34)30(20,21)27(35-16(4)32)25-23(37-25)14(2)22(13)33/h6-10,13-15,18-21,23-27H,11-12H2,1-5H3,(H,31,34)/t13-,14+,15-,18-,19-,20-,21?,23-,24?,25+,26-,27+,29+,30+/m0/s1

  • Inchikey: CNGSBKRXKAQYGK-RCVCKCMISA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C30H37NO7

  • Molecular weight: 523.60

  • Monoisotopic mass: 523.25700252

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