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Stachybotramide

  • Formula: C25H35NO5

  • Molecular weight: 429.50

  • Smiles: CC1CCC2C(C(CCC2(C13CC4=C(C=C5C(=C4O3)CN(C5=O)CCO)O)C)O)(C)C

  • Type: Benzofuran

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Stachybotramide

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

Names

  • Mycotoxin name: Stachybotramide

  • First synonym: None

  • Synonyms: Stachybotramide,149598-71-0,(3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-7'-(2-hydroxyethyl)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrofuro[2,3-e]isoindole]-6'-one,CHEMBL3104973,AKOS040762371,(2R,2'R,4a'S,6'R,8a'S)-4,6'-dihydroxy-7-(2-hydroxyethyl)-2',5',5',8a'-tetramethyl-3',4',4a',5',6',7,7',8,8',8a'-decahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-6(3H)-one

Identifiers / External links

Structure

  • Smiles: CC1CCC2C(C(CCC2(C13CC4=C(C=C5C(=C4O3)CN(C5=O)CCO)O)C)O)(C)C

  • Isomeric smiles: C[C@@H]1CC[C@@H]2[C@@]([C@@]13CC4=C(C=C5C(=C4O3)CN(C5=O)CCO)O)(CC[C@H](C2(C)C)O)C

  • Inchi: InChI=1S/C25H35NO5/c1-14-5-6-19-23(2,3)20(29)7-8-24(19,4)25(14)12-16-18(28)11-15-17(21(16)31-25)13-26(9-10-27)22(15)30/h11,14,19-20,27-29H,5-10,12-13H2,1-4H3/t14-,19+,20-,24+,25-/m1/s1

  • Inchikey: ZHECNBLIOXZXBL-TUJJLKMMSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C25H35NO5

  • Molecular weight: 429.50

  • Monoisotopic mass: 429.25152322

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