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Calbistrin e

  • Formula: C31H38O7

  • Molecular weight: 522.60

  • Smiles: CC1CC(C2C(=C1)C=CC3(C2(C(=O)C=CO3)C)C)OC(=O)C(C)C(C(=CC=CC(=CC=CC(=O)O)C)C)O

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Calbistrin e

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

  • Mycotoxin name: Calbistrin e

  • First synonym: Calbistrin e

  • Synonyms: Calbistrin E

Identifiers / External links

Structure

  • Smiles: CC1CC(C2C(=C1)C=CC3(C2(C(=O)C=CO3)C)C)OC(=O)C(C)C(C(=CC=CC(=CC=CC(=O)O)C)C)O

  • Isomeric smiles: C[C@H]1C[C@@H]([C@H]2C(=C1)C=C[C@@]3([C@@]2(C(=O)C=CO3)C)C)OC(=O)[C@@H](C)[C@H](/C(=C/C=C/C(=C/C=C/C(=O)O)/C)/C)O

  • Inchi: InChI=1S/C31H38O7/c1-19(10-8-12-26(33)34)9-7-11-21(3)28(35)22(4)29(36)38-24-18-20(2)17-23-13-15-30(5)31(6,27(23)24)25(32)14-16-37-30/h7-17,20,22,24,27-28,35H,18H2,1-6H3,(H,33,34)/b9-7+,12-8+,19-10+,21-11+/t20-,22+,24+,27-,28+,30-,31-/m1/s1

  • Inchikey: XZKXUILQCBAMTL-CNLDLGIASA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C31H38O7

  • Molecular weight: 522.60

  • Monoisotopic mass: 522.26175355

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