BE 31405

Formula: C28H36O10
Molecular weight: 532.60
Smiles: CC1CCC2C1CC3(C4CC2(C3(C(=C4)C(C)C)C(=O)O)C=O)COC56C(C7C(C(O5)C(O7)O6)OC(=O)C)O

Download

BE 31405

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: BE 31405
First synonym: None
Synonyms: BE-31405,(1R,2S,4R,5R,8R,9R,11R)-2-((((1R,3S,5R,7S,8S,9S)-8-(acetyloxy)-9-hydroxy-2,4,6-trioxatricyclo(3.3.1.0,)nonan-5-yl)oxy)methyl)-9-formyl-5-methyl-13-(propan-2-yl)tetracyclo(7.4.0.0,.0,)tridec-12-ene-1-carboxylate,(1R,2S,4R,5R,8R,9R,11R)-2-({[(1R,3S,5R,7S,8S,9S)-8-(acetyloxy)-9-hydroxy-2,4,6-trioxatricyclo[3.3.1.0,]nonan-5-yl]oxy}methyl)-9-formyl-5-methyl-13-(propan-2-yl)tetracyclo[7.4.0.0,.0,]tridec-12-ene-1-carboxylate,CHEBI:202565,158054-02-5,BE 31405,(1R,2S,4R,5R,8R,9S,11R)-2-[[(1R,3S,5R,7S,8S,9S)-8-acetyloxy-9-hydroxy-2,4,6-trioxatricyclo[3.3.1.03,7]nonan-5-yl]oxymethyl]-9-ormyl-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid

Smiles: CC1CCC2C1CC3(C4CC2(C3(C(=C4)C(C)C)C(=O)O)C=O)COC56C(C7C(C(O5)C(O7)O6)OC(=O)C)O
Isomeric smiles: C[C@@H]1CC[C@@H]2[C@@H]1C[C@@]3([C@@H]4C[C@]2([C@]3(C(=C4)C(C)C)C(=O)O)C=O)CO[C@]56[C@H]([C@@H]7[C@@H]([C@H](O5)[C@@H](O7)O6)OC(=O)C)O
Inchi: InChI=1S/C28H36O10/c1-12(2)18-7-15-8-25(10-29)17-6-5-13(3)16(17)9-26(15,27(18,25)24(32)33)11-34-28-22(31)20-19(35-14(4)30)21(37-28)23(36-20)38-28/h7,10,12-13,15-17,19-23,31H,5-6,8-9,11H2,1-4H3,(H,32,33)/t13-,15+,16-,17-,19+,20+,21+,22+,23+,25+,26+,27+,28-/m1/s1
Inchikey: ULHRLJDDVCQHQE-NDVSFKDBSA-N

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 id	Species
856	Penicillium minioluteum F31405