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Phenochalasin b

  • Formula: C29H35NO8

  • Molecular weight: 525.60

  • Smiles: CC1CC=CC2C3C(O3)(C(C4C2(C(=O)NC4CC5=CC=C(C=C5)OC)OC(=O)OC=CC(C1=O)(C)O)C)C

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Phenochalasin b

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

  • Mycotoxin name: Phenochalasin b

  • First synonym: Phenochalasin b

  • Synonyms: Phenochalasin B

Identifiers / External links

Structure

  • Smiles: CC1CC=CC2C3C(O3)(C(C4C2(C(=O)NC4CC5=CC=C(C=C5)OC)OC(=O)OC=CC(C1=O)(C)O)C)C

  • Isomeric smiles: C[C@H]1C/C=C/[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4[C@]2(C(=O)N[C@H]4CC5=CC=C(C=C5)OC)OC(=O)O/C=C/[C@@](C1=O)(C)O)C)C

  • Inchi: InChI=1S/C29H35NO8/c1-16-7-6-8-20-24-28(4,37-24)17(2)22-21(15-18-9-11-19(35-5)12-10-18)30-25(32)29(20,22)38-26(33)36-14-13-27(3,34)23(16)31/h6,8-14,16-17,20-22,24,34H,7,15H2,1-5H3,(H,30,32)/b8-6+,14-13+/t16-,17-,20-,21-,22-,24-,27+,28+,29+/m0/s1

  • Inchikey: LVWIBRGJAUUGDB-PZOHNQLKSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C29H35NO8

  • Molecular weight: 525.60

  • Monoisotopic mass: 525.23626707

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