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20-dihydrochaetoglobosin a

  • Formula: C32H38N2O5

  • Molecular weight: 530.70

  • Smiles: CC1CC=CC2C3C(O3)(C(C4C2(C(=O)C=CC(C(C(=C1)C)O)O)C(=O)NC4CC5=CNC6=CC=CC=C65)C)C

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20-dihydrochaetoglobosin a

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

Names

  • Mycotoxin name: 20-dihydrochaetoglobosin a

  • First synonym: 20-dihydrochaetoglobosin a

  • Synonyms: 20-Dihydrochaetoglobosin A

Identifiers / External links

Structure

  • Smiles: CC1CC=CC2C3C(O3)(C(C4C2(C(=O)C=CC(C(C(=C1)C)O)O)C(=O)NC4CC5=CNC6=CC=CC=C65)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)/C=C\[C@@H]([C@@H](/C(=C1)/C)O)O)C(=O)N[C@H]4CC5=CNC6=CC=CC=C65)C)C

  • Inchi: InChI=1S/C32H38N2O5/c1-17-8-7-10-22-29-31(4,39-29)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(38)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-14,16-17,19,22,24-25,27-29,33,35,37H,8,15H2,1-4H3,(H,34,38)/b10-7-,13-12-,18-14-/t17-,19-,22-,24-,25-,27-,28+,29-,31+,32-/m0/s1

  • Inchikey: SRTKOCMGVNIWFH-QDMZBZLOSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C32H38N2O5

  • Molecular weight: 530.70

  • Monoisotopic mass: 530.27807232

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