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Precyclocitrinol b

  • Formula: C25H34O3

  • Molecular weight: 382.50

  • Smiles: CC=CC1C(O1)(C)C2CCC3C2(CCC4C3=CC(=O)C5CC(CC=C4C5)O)C

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Precyclocitrinol b

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

Names

  • Mycotoxin name: Precyclocitrinol b

  • First synonym: Precyclocitrinol b

  • Synonyms: Precyclocitrinol B

Identifiers / External links

Structure

  • Smiles: CC=CC1C(O1)(C)C2CCC3C2(CCC4C3=CC(=O)C5CC(CC=C4C5)O)C

  • Isomeric smiles: C/C=C/C1[C@@](O1)(C)C2CC[C@@H]3[C@@]2(CC[C@H]4C3=CC(=O)[C@@H]5C[C@H](CC=C4C5)O)C

  • Inchi: InChI=1S/C25H34O3/c1-4-5-23-25(3,28-23)22-9-8-20-19-14-21(27)16-12-15(6-7-17(26)13-16)18(19)10-11-24(20,22)2/h4-6,14,16-18,20,22-23,26H,7-13H2,1-3H3/b5-4+/t16-,17-,18+,20-,22?,23?,24-,25+/m0/s1

  • Inchikey: QCMSHZCOLRBKOM-CVQVVLEXSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C25H34O3

  • Molecular weight: 382.50

  • Monoisotopic mass: 382.25079494

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