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Asticolorin c

  • Formula: C33H28O9

  • Molecular weight: 568.60

  • Smiles: CC1=CC2C3C(C1)(C4=C(C(=O)C3(OC5=C2C(=C6C(=C5)OC7=CC(=CC(=C76)O)CO)C)O)OC8=CC(=CC(=C84)O)CO)C

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Asticolorin c

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

Names

  • Mycotoxin name: Asticolorin c

  • First synonym: Asticolorin c

  • Synonyms: Asticolorin C,CHEBI:169581,(1R,16S,27S,31R)-6,16,24-trihydroxy-8,22-bis(hydroxymethyl)-3,27,29-trimethyl-11,15,19-trioxaoctacyclo[14.14.1.02,14.04,12.05,10.018,26.020,25.027,31]hentriaconta-2(14),3,5,7,9,12,18(26),20,22,24,29-undecaen-17-one,93395-44-9

Identifiers / External links

Structure

  • Smiles: CC1=CC2C3C(C1)(C4=C(C(=O)C3(OC5=C2C(=C6C(=C5)OC7=CC(=CC(=C76)O)CO)C)O)OC8=CC(=CC(=C84)O)CO)C

  • Isomeric smiles: CC1=C[C@@H]2[C@@H]3[C@](C1)(C4=C(C(=O)[C@]3(OC5=C2C(=C6C(=C5)OC7=CC(=CC(=C76)O)CO)C)O)OC8=CC(=CC(=C84)O)CO)C

  • Inchi: InChI=1S/C33H28O9/c1-13-4-17-24-14(2)25-22(40-20-7-15(11-34)5-18(36)26(20)25)9-23(24)42-33(39)30(17)32(3,10-13)28-27-19(37)6-16(12-35)8-21(27)41-29(28)31(33)38/h4-9,17,30,34-37,39H,10-12H2,1-3H3/t17-,30+,32+,33-/m0/s1

  • Inchikey: XVQCWVVYGNETPD-AYBPZWEFSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C33H28O9

  • Molecular weight: 568.60

  • Monoisotopic mass: 568.17333247

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