Cytosporolide a

Formula: C33H48O9
Molecular weight: 588.70
Smiles: CCCCCCCC1CC2=CC(=C(C3=C2C(O1)C4C(C=C(C5CC(C5(C(CC4(O3)C)O)O)(C)C)CO)OC)C(=O)O)O

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Cytosporolide a

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: Cytosporolide a
First synonym: Cytosporolide a
Synonyms: Cytosporolide A,UNII-JL1RVG31LW,JL1RVG31LW,(+)-Cytosporolide A,Cytosporolide A [MI],CHEMBL4448373,(2R,7aS,9S,9aS,11aR,12E,14S,14aR,14bR)-2-Heptyl-2,3,7a,8,9,9a,10,11,11a,14,14a,14b-dodecahydro-5,9,9a-trihydroxy-12-(hydroxymethyl)-14-methoxy-7a,10,10-trimethylcyclobuta(6,7)cyclonona(1,2-b)pyrano(2,3,4-de)(1)benzopyran-6-carboxylic acid,1235550-77-2,Cyclobuta(6,7)cyclonona(1,2-b)pyrano(2,3,4-de)(1)benzopyran-6-carboxylic acid, 2-heptyl-2,3,7a,8,9,9a,10,11,11a,14,14a,14b-dodecahydro-5,9,9a-trihydroxy-12-(hydroxymethyl)-14-methoxy-7a,10,10-trimethyl-, (2R,7aS,9S,9aS,11aR,12E,14S,14aR,14bR)-

Smiles: CCCCCCCC1CC2=CC(=C(C3=C2C(O1)C4C(C=C(C5CC(C5(C(CC4(O3)C)O)O)(C)C)CO)OC)C(=O)O)O
Isomeric smiles: CCCCCCC[C@@H]1CC2=CC(=C(C3=C2[C@H](O1)[C@H]4[C@H](/C=C(\[C@H]5CC([C@@]5([C@H](C[C@@]4(O3)C)O)O)(C)C)/CO)OC)C(=O)O)O
Inchi: InChI=1S/C33H48O9/c1-6-7-8-9-10-11-20-12-18-13-22(35)26(30(37)38)28-25(18)29(41-20)27-23(40-5)14-19(17-34)21-15-31(2,3)33(21,39)24(36)16-32(27,4)42-28/h13-14,20-21,23-24,27,29,34-36,39H,6-12,15-17H2,1-5H3,(H,37,38)/b19-14-/t20-,21-,23+,24+,27-,29+,32+,33-/m1/s1
Inchikey: WUUHSTNBLLDBED-NLXSCCDYSA-N

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Endpoint	Tool	Value	Unit	Comments	Reference

Fungi id	Species
428	Cytospora sp. XZ014