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CHEBI:205402 - Daedaleaside C

ChEBI IDCHEBI:205402
ChEBI NameDaedaleaside C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H60O11
Net Charge0
Average Mass728.920
Monoisotopic Mass728.41356
SMILESC=C(CC[C@@H](C(=O)OC1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1[C@H](OC(C)=O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C
InChIInChI=1S/C41H60O11/c1-21(2)22(3)11-12-25(36(48)52-37-35(47)34(46)33(45)29(51-37)20-49-23(4)42)32-28(50-24(5)43)19-41(10)27-13-14-30-38(6,7)31(44)16-17-39(30,8)26(27)15-18-40(32,41)9/h13,15,21,25,28-30,32-35,37,45-47H,3,11-12,14,16-20H2,1-2,4-10H3/t25-,28-,29-,30+,32+,33-,34+,35-,37?,39-,40-,41+/m1/s1
InChIKeyQDOSDEKSOUMQAH-HOQFIIGFSA-N
Species of MetaboliteComponentSourceComments
Daedalea dickinsii (ncbitaxon:157706) - PubMed (15974617)
ChEBI Ontology
Outgoing Relation(s)
Daedaleaside C (CHEBI:205402) is a ergostanoid (CHEBI:50403)
IUPAC Name 
[(3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl] (2R)-2-[(5R,10S,13R,14R,16R,17R)-16-acetyloxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoate
Manual XrefsDatabases
78437279ChemSpider