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CHEBI:213303 - Shearinine F

ChEBI IDCHEBI:213303
ChEBI NameShearinine F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H45NO5
Net Charge0
Average Mass583.769
Monoisotopic Mass583.32977
SMILESCC1(C)CC2=C(Cc3cc4c5c(nc4cc32)[C@@]2(C)[C@@H](CC[C@@]3(O)C4=CC(=O)[C@@H]6O[C@@]4(CC[C@@]32C)OC6(C)C)C5)C(C)(C)O1
InChIInChI=1S/C37H45NO5/c1-31(2)18-24-21-16-26-22(13-19(21)14-25(24)32(3,4)42-31)23-15-20-9-10-36(40)28-17-27(39)30-33(5,6)43-37(28,41-30)12-11-34(36,7)35(20,8)29(23)38-26/h13,16-17,20,30,38,40H,9-12,14-15,18H2,1-8H3/t20-,30-,34+,35+,36+,37-/m0/s1
InChIKeyQYRAHJVRFPJIQW-JDUCZRBWSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.tet.2006.10.050)
ChEBI Ontology
Outgoing Relation(s)
Shearinine F (CHEBI:213303) is a organic heterotricyclic compound (CHEBI:26979)
Shearinine F (CHEBI:213303) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,4R,5S,23S,26S,30R)-26-hydroxy-4,5,13,13,15,15,31,31-octamethyl-14,32,33-trioxa-7-azanonacyclo[28.2.1.01,27.04,26.05,23.06,21.08,20.010,18.011,16]tritriaconta-6(21),8(20),9,11(16),18,27-hexaen-29-one
Manual XrefsDatabases
17262460ChemSpider