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CHEBI:178610 - Prazerigenin A

ChEBI IDCHEBI:178610
ChEBI NamePrazerigenin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O4
Net Charge0
Average Mass430.629
Monoisotopic Mass430.30831
SMILES[H][C@]12CC[C@@]3(C)[C@@](O)(C[C@]4([H])O[C@]5(CC[C@@H](C)CO5)[C@@H](C)[C@]34[H])[C@]1([H])CC=C1C[C@@H](O)CC[C@@]12C
InChIInChI=1S/C27H42O4/c1-16-7-12-27(30-15-16)17(2)23-22(31-27)14-26(29)21-6-5-18-13-19(28)8-10-24(18,3)20(21)9-11-25(23,26)4/h5,16-17,19-23,28-29H,6-15H2,1-4H3/t16-,17+,19+,20+,21-,22+,23+,24+,25-,26-,27-/m1/s1
InChIKeyWWHAXDOZLPIUEY-SLPSHSHKSA-N
ChEBI Ontology
Outgoing Relation(s)
Prazerigenin A (CHEBI:178610) is a 3β-hydroxy steroid (CHEBI:36836)
IUPAC Name 
(1R,2R,4S,5'R,6R,7S,8R,9R,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-2,16-diol
Manual XrefsDatabases
LMST01080042LIPID MAPS
Registry NumbersSources
CAS:57701-28-7ChemIDplus