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Asticolorin b

  • Formula: C33H28O7

  • Molecular weight: 536.60

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

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Asticolorin b

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

  • Mycotoxin name: Asticolorin b

  • First synonym: Asticolorin b

  • Synonyms: Asticolorin B,CHEBI:169237,(1R,16S,27S,31R)-6,16,24-trihydroxy-3,8,22,27,29-pentamethyl-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,93376-71-7

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Structure

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

  • Inchi: InChI=1S/C33H28O7/c1-13-7-18(34)26-20(9-13)38-22-11-23-24(16(4)25(22)26)17-6-15(3)12-32(5)28-27-19(35)8-14(2)10-21(27)39-29(28)31(36)33(37,40-23)30(17)32/h6-11,17,30,34-35,37H,12H2,1-5H3/t17-,30+,32+,33-/m0/s1

  • Inchikey: QPGYUCLUVQROTF-AYBPZWEFSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C33H28O7

  • Molecular weight: 536.60

  • Monoisotopic mass: 536.18350323

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