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CHEBI:45723 - SPEROIDENONE

Default Structure
ChEBI IDCHEBI:45723
ChEBI NameSPEROIDENONE
Stars
DownloadsMolfile
FormulaC41H70O2
Net Charge0
Average Mass595.009
Monoisotopic Mass594.53758
SMILES[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])/C(=C(\[H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])/C([H])=C(\C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])/C(=C(\[H])C([H])([H])C([H])([H])/C(=C(\[H])C([H])([H])C([H])([H])/C(=C(\[H])C([H])([H])C(=O)C(OC([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C41H70O2/c1-33(2)19-14-22-36(5)25-17-28-37(6)26-15-23-34(3)20-12-13-21-35(4)24-16-27-38(7)29-18-30-39(8)31-32-40(42)41(9,10)43-11/h19,23-25,29,31,37H,12-18,20-22,26-28,30,32H2,1-11H3/b34-23+,35-24+,36-25+,38-29+,39-31+/t37-/m0/s1
InChIKeyGWQAMGYOEYXWJF-YCDPMLDASA-N
ChEBI Ontology
Outgoing Relation(s)
SPEROIDENONE (CHEBI:45723) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(8E,9'S,12E,12'E)-1-methoxy-4,5-didehydro-1,2,5,6,7,7',8',9',10,10',11,11',14,14',15,15'-hexadecahydro-psi,psi-caroten-2-onePDBeChem
SPEROIDENONEPDBeChem
Manual XrefsDatabases
SPNPDBeChem