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CHEBI:217529 - Chartarolide B

ChEBI IDCHEBI:217529
ChEBI NameChartarolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H49ClO10
Net Charge0
Average Mass773.319
Monoisotopic Mass772.30143
SMILESCC(C)=CCc1c(O)cc2c(c1C)OC(=O)c1c(C)c(Cl)c3c(c1O2)[C@@H]1O[C@H](O3)c2c(cc(O)c3c2O[C@]2(C3)[C@H](C)CC[C@H]3C(C)(C)[C@H](O)CC[C@@]32C)[C@H]1O
InChIInChI=1S/C44H49ClO10/c1-18(2)9-11-22-20(4)35-27(16-26(22)47)51-37-30(40(50)52-35)21(5)33(45)38-32(37)39-34(49)23-15-25(46)24-17-44(55-36(24)31(23)41(53-38)54-39)19(3)10-12-28-42(6,7)29(48)13-14-43(28,44)8/h9,15-16,19,28-29,34,39,41,46-49H,10-14,17H2,1-8H3/t19-,28+,29-,34-,39+,41+,43+,44-/m1/s1
InChIKeyUATIGQBTNYOUJW-XDOSMELTSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - DOI (10.1016/j.tetlet.2017.03.079)
ChEBI Ontology
Outgoing Relation(s)
Chartarolide B (CHEBI:217529) is a aromatic ether (CHEBI:35618)
IUPAC Name 
(1'S,3R,4aS,7R,8R,8aS,18'R,28'R)-15'-chloro-3,7',25',28'-tetrahydroxy-4,4,7,8a,9',14'-hexamethyl-8'-(3-methylbut-2-enyl)spiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,22'-4,11,17,21,29-pentaoxaheptacyclo[16.10.1.02,16.03,13.05,10.019,27.020,24]nonacosa-2,5(10),6,8,13,15,19,24,26-nonaene]-12'-one
Manual XrefsDatabases
62799689ChemSpider