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CHEBI:182828 - Spirostan-12-one, 3-(acetyloxy)-, (3beta,5alpha,25R)-

Default Structure
ChEBI IDCHEBI:182828
ChEBI NameSpirostan-12-one, 3-(acetyloxy)-, (3beta,5alpha,25R)-
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H44O5
Net Charge0
Average Mass472.666
Monoisotopic Mass472.31887
SMILESCC(=O)OC1CCC2(C)C(CCC3C2CC(=O)C2(C)C3CC3OC4(CCC(C)CO4)C(C)C32)C1
InChIInChI=1S/C29H44O5/c1-16-8-11-29(32-15-16)17(2)26-24(34-29)13-23-21-7-6-19-12-20(33-18(3)30)9-10-27(19,4)22(21)14-25(31)28(23,26)5/h16-17,19-24,26H,6-15H2,1-5H3
InChIKeyCVKZWRTYHCDWTE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Spirostan-12-one, 3-(acetyloxy)-, (3beta,5alpha,25R)- (CHEBI:182828) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(5',7,9,13-tetramethyl-10-oxospiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl) acetate
Manual XrefsDatabases
92069ChemSpider