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Acremonidin c

  • Formula: C33H26O13

  • Molecular weight: 630.50

  • Smiles: CC1=CC2=C(C(=C1)O)C(=O)C3(C(=O)C4C=CC3(C2OC(=O)C)CC5=CC(=C(C(=C45)O)C(=O)C6=C(C=CC(=C6C(=O)OC)O)O)O)O

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Acremonidin c

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

  • Mycotoxin name: Acremonidin c

  • First synonym: Acremonidin c

  • Synonyms: Acremonidin C

Identifiers / External links

Structure

  • Smiles: CC1=CC2=C(C(=C1)O)C(=O)C3(C(=O)C4C=CC3(C2OC(=O)C)CC5=CC(=C(C(=C45)O)C(=O)C6=C(C=CC(=C6C(=O)OC)O)O)O)O

  • Isomeric smiles: CC1=CC2=C(C(=C1)O)C(=O)C3(C(=O)[C@H]4C=C[C@]3([C@H]2OC(=O)C)CC5=CC(=C(C(=C45)O)C(=O)C6=C(C=CC(=C6C(=O)OC)O)O)O)O

  • Inchi: InChI=1S/C33H26O13/c1-12-8-16-22(19(37)9-12)29(42)33(44)28(41)15-6-7-32(33,30(16)46-13(2)34)11-14-10-20(38)25(26(39)21(14)15)27(40)23-17(35)4-5-18(36)24(23)31(43)45-3/h4-10,15,30,35-39,44H,11H2,1-3H3/t15-,30-,32+,33?/m0/s1

  • Inchikey: SABTZTAQTOWIRM-KSKMTRDGSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C33H26O13

  • Molecular weight: 630.50

  • Monoisotopic mass: 630.13734088

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