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CHEBI:197883 - Lolicine-B 11-O-propionate

ChEBI IDCHEBI:197883
ChEBI NameLolicine-B 11-O-propionate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H55NO7
Net Charge0
Average Mass673.891
Monoisotopic Mass673.39785
SMILESCCC(=O)O[C@@H]1C[C@@H](C(C)(C)O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4Cc5c(nc6ccc7c(c56)C[C@@H]5[C@@H](C7=O)C(C)(C)OC5(C)C)[C@@]43C)[C@@]21C=O
InChIInChI=1S/C41H55NO7/c1-10-31(44)48-30-19-29(36(2,3)46)47-28-15-16-39(8)27(41(28,30)20-43)14-11-21-17-24-32-23-18-25-33(38(6,7)49-37(25,4)5)34(45)22(23)12-13-26(32)42-35(24)40(21,39)9/h12-13,20-21,25,27-30,33,42,46H,10-11,14-19H2,1-9H3/t21-,25+,27+,28-,29-,30+,33-,39-,40+,41-/m0/s1
InChIKeyPUDUYGKIVHTRTL-SKACZCJFSA-N
Species of MetaboliteComponentSourceComments
Neotyphodium (ncbitaxon:45284) - PubMed (10554283)
ChEBI Ontology
Outgoing Relation(s)
Lolicine-B 11-O-propionate (CHEBI:197883) is a 19-oxo steroid (CHEBI:38149)
IUPAC Name 
[(2S,3S,6S,8S,10R,11R,12R,15S,21R,25R)-11-ormyl-8-(2-hydroxypropan-2-yl)-2,3,22,22,24,24-hexamethyl-26-oxo-7,23-dioxa-31-azaoctacyclo[15.14.0.02,15.03,12.06,11.018,30.019,27.021,25]hentriaconta-1(17),18(30),19(27),28-tetraen-10-yl] propanoate
Manual XrefsDatabases
78439570ChemSpider