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Virescenoside M

  • Formula: C26H40O9

  • Molecular weight: 496.60

  • Smiles: CC1(CCC2=C(C1)C(=O)CC3C2(CC(C(C3(C)COC4C(C(C(C(O4)CO)O)O)O)O)O)C)C=C

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Virescenoside M

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

  • Mycotoxin name: Virescenoside M

  • First synonym: None

  • Synonyms: VIRESCENOSIDE M,CHEBI:201149,(1S,2R,3R,4aS,7S,10aR)-7-ethenyl-2,3-dihydroxy-1,4a,7-trimethyl-1-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3,4,5,6,8,10,10a-octahydrophenanthren-9-one

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Structure

  • Smiles: CC1(CCC2=C(C1)C(=O)CC3C2(CC(C(C3(C)COC4C(C(C(C(O4)CO)O)O)O)O)O)C)C=C

  • Isomeric smiles: C[C@@]1(CCC2=C(C1)C(=O)C[C@@H]3[C@@]2(C[C@H]([C@@H]([C@]3(C)CO[C@H]4[C@H]([C@@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)C)C=C

  • Inchi: InChI=1S/C26H40O9/c1-5-24(2)7-6-14-13(9-24)15(28)8-18-25(14,3)10-16(29)22(33)26(18,4)12-34-23-21(32)20(31)19(30)17(11-27)35-23/h5,16-23,27,29-33H,1,6-12H2,2-4H3/t16-,17-,18-,19-,20-,21+,22+,23-,24+,25-,26-/m1/s1

  • Inchikey: MAUNRHHHTKXIPX-LVEBLLTKSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C26H40O9

  • Molecular weight: 496.60

  • Monoisotopic mass: 496.26723285

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