Logo Anses
Logo Interreg

Austalide i

  • Formula: C27H34O8

  • Molecular weight: 486.60

  • Smiles: CC1=C2COC(=O)C2=C(C3=C1OC4(CC(C5C(OC(=O)CCC5(C4C3)C)(C)C)OC(=O)C)C)OC

  • Type: Furo[3,4-g]-1-benzopyran

Download

Austalide i

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

Names

  • Mycotoxin name: Austalide i

  • First synonym: Austalide i

  • Synonyms: Austalide I,UNII-SO7S6DS7TQ,SO7S6DS7TQ,96817-08-2,CHEBI:176171,[(1S,13R,14R,20S,21R)-10-methoxy-1,4,14,19,19-pentamethyl-8,17-dioxo-2,7,18-trioxapentacyclo[11.9.0.03,11.05,9.014,20]docosa-3(11),4,9-trien-21-yl] acetate,5H-Furo(3,4-i)oxepino(4,3-a)xanthene-3,12-dione, 6-(acetyloxy)-1,2,5a,6,7,7a,10,14,14a,14b-decahydro-13-methoxy-5,5,7a,9,14b-pentamethyl-, (5aS,6R,7aS,14aR,14bR)-,5H-Furo(3,4-i)oxepino(4,3-a)xanthene-3,12-dione, 6-(acetyloxy)-1,2,5a,6,7,7a,10,14,14a,14b-decahydro-13-methoxy-5,5,7a,9,14b-pentamethyl-, (5as-(5aalpha,6beta,7aalpha,14aalpha,14bbeta))-

Identifiers / External links

Structure

  • Smiles: CC1=C2COC(=O)C2=C(C3=C1OC4(CC(C5C(OC(=O)CCC5(C4C3)C)(C)C)OC(=O)C)C)OC

  • Isomeric smiles: CC1=C2COC(=O)C2=C(C3=C1O[C@]4(C[C@H]([C@@H]5[C@@]([C@H]4C3)(CCC(=O)OC5(C)C)C)OC(=O)C)C)OC

  • Inchi: InChI=1S/C27H34O8/c1-13-16-12-32-24(30)20(16)22(31-7)15-10-18-26(5)9-8-19(29)34-25(3,4)23(26)17(33-14(2)28)11-27(18,6)35-21(13)15/h17-18,23H,8-12H2,1-7H3/t17-,18-,23+,26-,27+/m1/s1

  • Inchikey: XBPVWACQUMEORV-YZXBTVPESA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C27H34O8

  • Molecular weight: 486.60

  • Monoisotopic mass: 486.22536804

Select an endpoint:

Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Sub category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Endpoint Tool Value Unit Comments Reference

Fungi