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Austocystin C

  • Formula: C23H22O7

  • Molecular weight: 410.40

  • Smiles: CC(C)(CCC1=C2C(=C(C=C1)O)C(=O)C3=C(C4=C(C=C3O2)OC5C4C=CO5)OC)O

  • Type: Austocystin (Furoxanthenone)

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Austocystin C

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

Names

  • Mycotoxin name: Austocystin C

  • First synonym: None

  • Synonyms: Austocystin C,CCRIS 2007,BRN 1274590,55256-55-8,DTXSID50203766,5H-Furo(3',2':4,5)furo(3,2-b)xanthen-5-one, 3a,12a-dihydro-6-hydroxy-9-(3-hydroxy-3-methylbutyl)-4-methoxy-, (3aS-cis)-,(4S,8R)-18-hydroxy-15-(3-hydroxy-3-methylbutyl)-2-methoxy-7,9,13-trioxapentacyclo(10.8.0.03,10.04,8.014,19)icosa-1,3(10),5,11,14,16,18-heptaen-20-one,(4S,8R)-18-hydroxy-15-(3-hydroxy-3-methylbutyl)-2-methoxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14,16,18-heptaen-20-one,DTXCID80126257

Identifiers / External links

Structure

  • Smiles: CC(C)(CCC1=C2C(=C(C=C1)O)C(=O)C3=C(C4=C(C=C3O2)OC5C4C=CO5)OC)O

  • Isomeric smiles: CC(C)(CCC1=C2C(=C(C=C1)O)C(=O)C3=C(C4=C(C=C3O2)O[C@@H]5[C@H]4C=CO5)OC)O

  • Inchi: InChI=1S/C23H22O7/c1-23(2,26)8-6-11-4-5-13(24)17-19(25)18-15(29-20(11)17)10-14-16(21(18)27-3)12-7-9-28-22(12)30-14/h4-5,7,9-10,12,22,24,26H,6,8H2,1-3H3/t12-,22+/m0/s1

  • Inchikey: MLCZRFXGJOUFHE-AMXDTQDGSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C23H22O7

  • Molecular weight: 410.40

  • Monoisotopic mass: 410.13655304

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