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CHEBI:175478 - Spirostane-3,6-dione

Default Structure
ChEBI IDCHEBI:175478
ChEBI NameSpirostane-3,6-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40O4
Net Charge0
Average Mass428.613
Monoisotopic Mass428.29266
SMILESCC1CCC2(OC1)OC1CC3C4CC(=O)C5CC(=O)CCC5(C)C4CCC3(C)C1C2C
InChIInChI=1S/C27H40O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-16,18-21,23-24H,5-14H2,1-4H3
InChIKeyCGXQJOWMWZPOPV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Spirostane-3,6-dione (CHEBI:175478) is a triterpenoid (CHEBI:36615)
IUPAC Name 
5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16,19-dione
Manual XrefsDatabases
HMDB0036940HMDB