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Rhizoxin d

  • Formula: C35H47NO7

  • Molecular weight: 593.70

  • Smiles: CC1C=CC=C(C(CC(OC(=O)C=CCC2CC1OC(=O)C2)C(C)C(C(=CC=CC(=CC3=COC(=N3)C)C)C)OC)O)C

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Rhizoxin d

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

  • Mycotoxin name: Rhizoxin d

  • First synonym: Rhizoxin d

  • Synonyms: Rhizoxin D,103528-77-4

Identifiers / External links

  • CAS: 31-18-2,15-10-1,17-29-2,103528-77-4,32-20-3

  • PubChem CID: 9808665

Structure

  • Smiles: CC1C=CC=C(C(CC(OC(=O)C=CCC2CC1OC(=O)C2)C(C)C(C(=CC=CC(=CC3=COC(=N3)C)C)C)OC)O)C

  • Isomeric smiles: C[C@@H]1/C=C/C=C(/[C@H](C[C@H](OC(=O)/C=C/C[C@@H]2C[C@H]1OC(=O)C2)[C@H](C)[C@H](/C(=C/C=C/C(=C/C3=COC(=N3)C)/C)/C)OC)O)\C

  • Inchi: InChI=1S/C35H47NO7/c1-22(17-29-21-41-27(6)36-29)11-8-14-25(4)35(40-7)26(5)32-20-30(37)23(2)12-9-13-24(3)31-18-28(19-34(39)42-31)15-10-16-33(38)43-32/h8-14,16-17,21,24,26,28,30-32,35,37H,15,18-20H2,1-7H3/b11-8+,13-9+,16-10+,22-17+,23-12+,25-14+/t24-,26+,28-,30+,31-,32+,35+/m1/s1

  • Inchikey: BDCIVUTULLELHY-BRPJXHCYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C35H47NO7

  • Molecular weight: 593.70

  • Monoisotopic mass: 593.33525284

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