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stachyflin

  • Formula: C23H31NO4

  • Molecular weight: 385.50

  • Smiles: CC1CCC2C(C(CCC23C1(CC4=C(C=C5C(=C4O3)CNC5=O)O)C)O)(C)C

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stachyflin

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

Names

  • Mycotoxin name: stachyflin

  • First synonym: Stachyflin

  • Synonyms: Stachyflin,dihydroxy(tetramethyl)[?]one,(+)-Stachyflin,CHEBI:188701,(1S,13R,14S,17S,19S)-10,19-dihydroxy-13,14,18,18-tetramethyl-2-oxa-6-azapentacyclo[11.8.0.01,17.03,11.04,8]henicosa-3,8,10-trien-7-one,3H-Naphtho[1',8a':5,6]pyrano[2,3-e]isoindol-3-one, 1,2,6,6a,7,8,9,9a,10,11,12,13-dodecahydro-5,11-dihydroxy-6a,7,10,10-tetramethyl-, (6aR,7S,9aS,11S,13aS)-

Identifiers / External links

Structure

  • Smiles: CC1CCC2C(C(CCC23C1(CC4=C(C=C5C(=C4O3)CNC5=O)O)C)O)(C)C

  • Isomeric smiles: C[C@H]1CC[C@@H]2[C@]3([C@@]1(CC4=C(C=C5C(=C4O3)CNC5=O)O)C)CC[C@@H](C2(C)C)O

  • Inchi: InChI=1S/C23H31NO4/c1-12-5-6-17-21(2,3)18(26)7-8-23(17)22(12,4)10-14-16(25)9-13-15(19(14)28-23)11-24-20(13)27/h9,12,17-18,25-26H,5-8,10-11H2,1-4H3,(H,24,27)/t12-,17-,18-,22+,23-/m0/s1

  • Inchikey: KUWCILGWLAWLGB-SFJHCMNLSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C23H31NO4

  • Molecular weight: 385.50

  • Monoisotopic mass: 385.22530847

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