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Beta-pc-m6

  • Formula: C27H35NO3

  • Molecular weight: 421.60

  • Smiles: CC12CCC3C(=CC(C(O3)C(C)(C)O)O)C1CCC4C2(C5=C(C4)C6=CC=CC=C6N5)C

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Beta-pc-m6

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

  • Mycotoxin name: Beta-pc-m6

  • First synonym: Beta-pc-m6

  • Synonyms: beta-PC-M6,beta-10-Hydroxy-12-demethyl-11,12-dehydropaspaline,10beta-Hydroxy-13-desoxypaxilline,CHEMBL4472632,CHEBI:181929,C20535,(1S,2S,5S,7S,8R,11R,14S)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17,19,21-pentaen-8-ol

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Structure

  • Smiles: CC12CCC3C(=CC(C(O3)C(C)(C)O)O)C1CCC4C2(C5=C(C4)C6=CC=CC=C6N5)C

  • Isomeric smiles: C[C@]12CC[C@H]3C(=C[C@H]([C@H](O3)C(C)(C)O)O)[C@@H]1CC[C@@H]4[C@@]2(C5=C(C4)C6=CC=CC=C6N5)C

  • Inchi: InChI=1S/C27H35NO3/c1-25(2,30)24-21(29)14-18-19-10-9-15-13-17-16-7-5-6-8-20(16)28-23(17)27(15,4)26(19,3)12-11-22(18)31-24/h5-8,14-15,19,21-22,24,28-30H,9-13H2,1-4H3/t15-,19-,21+,22-,24-,26-,27+/m0/s1

  • Inchikey: FROHWGGMFSFTTA-PEYQONPESA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C27H35NO3

  • Molecular weight: 421.60

  • Monoisotopic mass: 421.26169398

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