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CHEBI:203758 - Lolitrem A

ChEBI IDCHEBI:203758
ChEBI NameLolitrem A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H55NO8
Net Charge0
Average Mass701.901
Monoisotopic Mass701.39277
SMILESCC1(C)OC1[C@H]1O[C@H]2[C@H]3O[C@@]34[C@H](CC[C@@]3(C)[C@@]4(O)CC[C@H]4Cc5c(nc6ccc7c(c56)C[C@@H]5[C@@H](C7=O)C(C)(C)OC5(C)C)[C@@]43C)O[C@@H]2C(C)(C)O1
InChIInChI=1S/C42H55NO8/c1-35(2)23-18-21-20(28(44)27(23)36(3,4)51-35)11-12-24-26(21)22-17-19-13-16-41(45)39(9,40(19,10)30(22)43-24)15-14-25-42(41)32(49-42)29-31(46-25)37(5,6)50-34(47-29)33-38(7,8)48-33/h11-12,19,23,25,27,29,31-34,43,45H,13-18H2,1-10H3/t19-,23+,25-,27-,29+,31-,32+,33?,34-,39+,40+,41-,42-/m0/s1
InChIKeyPXJKIAMLVLKXQP-GTHCCFMRSA-N
Species of MetaboliteComponentSourceComments
Epichloe festucae var. lolii (ncbitaxon:73839) - DOI (10.1021/jf00053a029)
ChEBI Ontology
Outgoing Relation(s)
Lolitrem A (CHEBI:203758) is a organic heterotricyclic compound (CHEBI:26979)
Lolitrem A (CHEBI:203758) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,9R,13R,19S,22S,23S,25R,26R,28S,31S,33S,36R)-28-(3,3-dimethyloxiran-2-yl)-22-hydroxy-1,10,10,12,12,30,30,36-octamethyl-11,24,27,29,32-pentaoxa-3-azadecacyclo[17.17.0.02,17.04,16.07,15.09,13.022,36.023,25.023,33.026,31]hexatriaconta-2(17),4(16),5,7(15)-tetraen-8-one
Manual XrefsDatabases
78440173ChemSpider