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2'-o-acetylsordarin

  • Formula: C29H42O9

  • Molecular weight: 534.60

  • Smiles: CC1CCC2C1CC3(C4CC2(C3(C(=C4)C(C)C)C(=O)O)C=O)COC5C(C(C(C(O5)C)OC)O)OC(=O)C

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2'-o-acetylsordarin

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

  • Mycotoxin name: 2'-o-acetylsordarin

  • First synonym: 2'-o-acetylsordarin

  • Synonyms: 2'-O-Acetylsordarin

Identifiers / External links

Structure

  • Smiles: CC1CCC2C1CC3(C4CC2(C3(C(=C4)C(C)C)C(=O)O)C=O)COC5C(C(C(C(O5)C)OC)O)OC(=O)C

  • Isomeric smiles: C[C@@H]1CC[C@@H]2[C@@H]1CC3(C4CC2(C3(C(=C4)C(C)C)C(=O)O)C=O)COC5C(C(C(C(O5)C)OC)O)OC(=O)C

  • Inchi: InChI=1S/C29H42O9/c1-14(2)21-9-18-10-27(12-30)20-8-7-15(3)19(20)11-28(18,29(21,27)26(33)34)13-36-25-24(38-17(5)31)22(32)23(35-6)16(4)37-25/h9,12,14-16,18-20,22-25,32H,7-8,10-11,13H2,1-6H3,(H,33,34)/t15-,16?,18?,19-,20-,22?,23?,24?,25?,27?,28?,29?/m1/s1

  • Inchikey: CQEKPQJDWBHIQF-RDCXXZNGSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C29H42O9

  • Molecular weight: 534.60

  • Monoisotopic mass: 534.28288291

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