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Pyripyropene H

  • Formula: C28H35NO6

  • Molecular weight: 481.60

  • Smiles: CCC(=O)OC1CCC2(C(C1(C)C)CCC3(C2C(C4=C(O3)C=C(OC4=O)C5=CN=CC=C5)O)C)C

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Pyripyropene H

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

  • Mycotoxin name: Pyripyropene H

  • First synonym: None

  • Synonyms: Pyripyropene H,[(1S,2S,5S,7R,10R,18R)-18-hydroxy-2,6,6,10-tetramethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-5-yl] propanoate,((1S,2S,5S,7R,10R,18R)-18-hydroxy-2,6,6,10-tetramethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo(8.8.0.02,7.012,17)octadeca-12(17),13-dien-5-yl) propanoate,CHEBI:203060,(5AR,7ar,9S,11as,11BS,12R)-12-hydroxy-5a,8,8,11a-tetramethyl-1-oxo-3-(pyridin-3-yl)-1,5a,6,7,7a,8,9,10,11,11a,11b,12-dodecahydro-2,5-dioxatetraphen-9-yl propanoic acid

Identifiers / External links

Structure

  • Smiles: CCC(=O)OC1CCC2(C(C1(C)C)CCC3(C2C(C4=C(O3)C=C(OC4=O)C5=CN=CC=C5)O)C)C

  • Isomeric smiles: CCC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2[C@H](C4=C(O3)C=C(OC4=O)C5=CN=CC=C5)O)C)C

  • Inchi: InChI=1S/C28H35NO6/c1-6-21(30)34-20-10-11-27(4)19(26(20,2)3)9-12-28(5)24(27)23(31)22-18(35-28)14-17(33-25(22)32)16-8-7-13-29-15-16/h7-8,13-15,19-20,23-24,31H,6,9-12H2,1-5H3/t19-,20-,23-,24+,27-,28+/m0/s1

  • Inchikey: SXJTWYINRPVQFO-SKCCSFANSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H35NO6

  • Molecular weight: 481.60

  • Monoisotopic mass: 481.24643784

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