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Smtp 8d

  • Formula: C52H70N2O10

  • Molecular weight: 883.10

  • Smiles: CC(=CCCC(=CCCC1(C(CC2=C(C=C3C(=C2O1)CN(C3=O)CCCCC(C(=O)O)N4CC5=C6C(=C(C=C5C4=O)O)CC(C(O6)(C)CCC=C(C)CCC=C(C)C)O)O)O)C)C)C

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Smtp 8d

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

  • Mycotoxin name: Smtp 8d

  • First synonym: Smtp-8d

  • Synonyms: SMTP-8D

Identifiers / External links

Structure

  • Smiles: CC(=CCCC(=CCCC1(C(CC2=C(C=C3C(=C2O1)CN(C3=O)CCCCC(C(=O)O)N4CC5=C6C(=C(C=C5C4=O)O)CC(C(O6)(C)CCC=C(C)CCC=C(C)C)O)O)O)C)C)C

  • Isomeric smiles: CC(=CCC/C(=C/CC[C@@]1([C@@H](CC2=C(C=C3C(=C2O1)CN(C3=O)CCCC[C@H](C(=O)O)N4CC5=C6C(=C(C=C5C4=O)O)C[C@H]([C@@](O6)(C)CC/C=C(\C)/CCC=C(C)C)O)O)O)C)/C)C

  • Inchi: InChI=1S/C52H70N2O10/c1-31(2)15-11-17-33(5)19-13-22-51(7)44(57)27-37-42(55)25-35-39(46(37)63-51)29-53(48(35)59)24-10-9-21-41(50(61)62)54-30-40-36(49(54)60)26-43(56)38-28-45(58)52(8,64-47(38)40)23-14-20-34(6)18-12-16-32(3)4/h15-16,19-20,25-26,41,44-45,55-58H,9-14,17-18,21-24,27-30H2,1-8H3,(H,61,62)/b33-19+,34-20+/t41-,44-,45-,51-,52-/m1/s1

  • Inchikey: SJMBRLPDWBJVRZ-ZWKOAKEHSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C52H70N2O10

  • Molecular weight: 883.10

  • Monoisotopic mass: 882.50304643

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