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Thailandolide b

  • Formula: C27H34O8

  • Molecular weight: 486.60

  • Smiles: CC1C(C2=C(C(=CC3=C2CC4C5(CCC(=O)C(C5CC(C4(O3)C)O)(C)C)C)O)C(=O)O1)OC(=O)C

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Thailandolide b

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

  • Mycotoxin name: Thailandolide b

  • First synonym: Thailandolide b

  • Synonyms: Thailandolide B,944726-62-9,[(1R,5R,6R,14R,15S,17R,22S)-10,15-dihydroxy-6,14,18,18,22-pentamethyl-8,19-dioxo-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10-trien-5-yl] acetate

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Structure

  • Smiles: CC1C(C2=C(C(=CC3=C2CC4C5(CCC(=O)C(C5CC(C4(O3)C)O)(C)C)C)O)C(=O)O1)OC(=O)C

  • Isomeric smiles: C[C@@H]1[C@@H](C2=C(C(=CC3=C2C[C@@H]4[C@]5(CCC(=O)C([C@@H]5C[C@@H]([C@@]4(O3)C)O)(C)C)C)O)C(=O)O1)OC(=O)C

  • Inchi: InChI=1S/C27H34O8/c1-12-23(34-13(2)28)21-14-9-18-26(5)8-7-19(30)25(3,4)17(26)11-20(31)27(18,6)35-16(14)10-15(29)22(21)24(32)33-12/h10,12,17-18,20,23,29,31H,7-9,11H2,1-6H3/t12-,17+,18-,20+,23+,26+,27-/m1/s1

  • Inchikey: WBVYOHUPTWNRJD-ZLQXHUGPSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C27H34O8

  • Molecular weight: 486.60

  • Monoisotopic mass: 486.22536804

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