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Pyripyropene J

  • Formula: C33H41NO10

  • Molecular weight: 611.70

  • Smiles: CCC(=O)OC1CCC2(C(C1(C)COC(=O)C)CC(C3(C2C(C4=C(O3)C=C(OC4=O)C5=CN=CC=C5)O)C)OC(=O)CC)C

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Pyripyropene J

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

  • Mycotoxin name: Pyripyropene J

  • First synonym: None

  • Synonyms: Pyripyropene J,CHEBI:66795,(3S,4R,4aR,6S,6aS,12R,12aS,12bS)-4-[(acetyloxy)methyl]-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-(pyridin-3-yl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromene-3,6-diyl dipropanoate,((1S,2S,5S,6R,7R,9S,10S,18R)-6-(acetyloxymethyl)-18-hydroxy-2,6,10-trimethyl-16-oxo-9-propanoyloxy-14-pyridin-3-yl-11,15-dioxatetracyclo(8.8.0.02,7.012,17)octadeca-12(17),13-dien-5-yl) propanoate,(3S,4R,4aR,6S,6aS,12R,12aS,12bS)-4-((acetyloxy)methyl)-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-(pyridin-3-yl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo(f)pyrano(4,3-b)chromene-3,6-diyl dipropanoate,[(1S,2S,5S,6R,7R,9S,10S,18R)-6-(acetyloxymethyl)-18-hydroxy-2,6,10-trimethyl-16-oxo-9-propanoyloxy-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-5-yl] propanoate,Q27135427

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Structure

  • Smiles: CCC(=O)OC1CCC2(C(C1(C)COC(=O)C)CC(C3(C2C(C4=C(O3)C=C(OC4=O)C5=CN=CC=C5)O)C)OC(=O)CC)C

  • Isomeric smiles: CCC(=O)O[C@H]1CC[C@]2([C@H]([C@]1(C)COC(=O)C)C[C@@H]([C@@]3([C@@H]2[C@H](C4=C(O3)C=C(OC4=O)C5=CN=CC=C5)O)C)OC(=O)CC)C

  • Inchi: InChI=1S/C33H41NO10/c1-7-25(36)42-23-11-12-31(4)22(32(23,5)17-40-18(3)35)15-24(43-26(37)8-2)33(6)29(31)28(38)27-21(44-33)14-20(41-30(27)39)19-10-9-13-34-16-19/h9-10,13-14,16,22-24,28-29,38H,7-8,11-12,15,17H2,1-6H3/t22-,23+,24+,28+,29-,31+,32+,33-/m1/s1

  • Inchikey: YOWCHQXYSYCIRL-TUMCFGMQSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C33H41NO10

  • Molecular weight: 611.70

  • Monoisotopic mass: 611.2730465

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