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andibenin b

  • Formula: C25H30O6

  • Molecular weight: 426.50

  • Smiles: CC1(C2(CCC34CC5(C=C6C3(COC6=O)C(C5=O)(CC4C2(C)O)C)C)C=CC(=O)O1)C

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andibenin b

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

  • Mycotoxin name: andibenin b

  • First synonym: None

  • Synonyms: Andibenin,Andibenin-b,Andibenin B,8J4R6SNW25,60451-42-5,(3'S,5S,6aR,7aR,8R,11aS,11bR)-6a,7,7a,8,10,11-Hexahydro-8-hydroxy-2',2',5,6a,8-pentamethylspiro(5,11a-methano-1H,11ah-fluoreno(4,4a-C)furan-9(3H),3'(6'H)-(2H)pyran)-3,6,6'(5H)-trione,Spiro(5,11a-methano-1H,11ah-fluoreno(4,4a-C)furan-9(3H),3'(6'H)-(2H)pyran)-3,6,6'(5H)-trione, 6a,7,7a,8,10,11-hexahydro-8-hydroxy-2',2',5,6a,8-pentamethyl-, (3'S,5S,6aR,7aR,8R,11aS,11bR)-,(5S-(5.ALPHA.,6A.BETA.,7A.ALPHA.,8.BETA.,9.BETA.,11A.ALPHA.,11BS*))-6A,7,7A,8,10,11-HEXAHYDRO-8-HYDROXY-2',2',5,6A,8-PENTAMETHYLSPIRO(5,11A-METHANO-1H,11AH-FLUORENO(4,4A-C)FURAN-9(3H),3'(6'H)-(2H)PYRAN)-3,6,6'(5H)-TRIONE,(5S-(5alpha,6abeta,7aalpha,8beta,9beta,11aalpha,11Bs*))-6a,7,7a,8,10,11-hexahydro-8-hydroxy-2',2',5,6a,8-pentamethylspiro(5,11a-methano-1H,11ah-fluoreno(4,4a-C)furan-9(3H),3'(6'H)-(2H)pyran)-3,6,6'(5H)-trione,UNII-8J4R6SNW25

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Structure

  • Smiles: CC1(C2(CCC34CC5(C=C6C3(COC6=O)C(C5=O)(CC4C2(C)O)C)C)C=CC(=O)O1)C

  • Isomeric smiles: C[C@@]12C[C@H]3[C@@]([C@]4(CC[C@@]35[C@@]16COC(=O)C6=C[C@](C5)(C2=O)C)C=CC(=O)OC4(C)C)(C)O

  • Inchi: InChI=1S/C25H30O6/c1-19(2)24(7-6-16(26)31-19)9-8-23-12-20(3)10-14-17(27)30-13-25(14,23)21(4,18(20)28)11-15(23)22(24,5)29/h6-7,10,15,29H,8-9,11-13H2,1-5H3/t15-,20+,21-,22+,23-,24-,25+/m0/s1

  • Inchikey: FJRSJHTWTJSDAB-GUGSCZGZSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C25H30O6

  • Molecular weight: 426.50

  • Monoisotopic mass: 426.20423867

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