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CHEBI:223602 - Bu-2313 B

ChEBI IDCHEBI:223602
ChEBI NameBu-2313 B
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FormulaC26H33NO9
Net Charge0
Average Mass503.548
Monoisotopic Mass503.21553
SMILESCOC(=O)[C@H]1[C@@H](C)O[C@@]2(C)CC(=O)[C@@H]3O[C@@]12O[C@H]([C@H](C)/C=C(C)/C=C/C(O)=C1C(=O)CNC1=O)[C@H]3C
InChIInChI=1S/C26H33NO9/c1-12(7-8-16(28)19-18(30)11-27-23(19)31)9-13(2)21-14(3)22-17(29)10-25(5)26(35-21,36-22)20(15(4)34-25)24(32)33-6/h7-9,13-15,20-22,28H,10-11H2,1-6H3,(H,27,31)/b8-7+,12-9+,19-16?/t13-,14-,15-,20-,21-,22-,25+,26+/m1/s1
InChIKeyDTURANKMSHIDDI-KTKSZOSCSA-N
ChEBI Ontology
Outgoing Relation(s)
Bu-2313 B (CHEBI:223602) is a furopyran (CHEBI:74927)
IUPAC Name 
methyl (1S,2S,3R,5S,8R,9R,10R)-10-[(2R,3E,5E)-7-(2,4-dioxopyrrolidin-3-ylidene)-7-hydroxy-4-methylhepta-3,5-dien-2-yl]-3,5,9-trimethyl-7-oxo-4,11,12-trioxatricyclo[6.3.1.01,5]dodecane-2-carboxylate
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