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CHEBI:178608 - Sisalagenin

Default Structure
ChEBI IDCHEBI:178608
ChEBI NameSisalagenin
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SubmitterMetaboLights
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FormulaC27H42O4
Net Charge0
Average Mass430.629
Monoisotopic Mass430.30831
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC(=O)[C@@]4(C)[C@@]3([H])C[C@]3([H])O[C@]5(CC[C@H](C)CO5)[C@@H](C)[C@]43[H])[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-22,24,28H,5-14H2,1-4H3/t15-,16-,17-,18-,19+,20-,21-,22-,24-,25-,26+,27+/m0/s1
InChIKeyQOLRLLFJMZLYQJ-KYRQEAISSA-N
ChEBI Ontology
Outgoing Relation(s)
Sisalagenin (CHEBI:178608) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
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