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CHEBI:166815 - Tomatidinol

ChEBI IDCHEBI:166815
ChEBI NameTomatidinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H43NO2
Net Charge0
Average Mass413.646
Monoisotopic Mass413.32938
SMILES[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@]2([H])O[C@@]3(CCC(C)CN3)[C@@H](C)[C@]12[H]
InChIInChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16?,17-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1
InChIKeyKWVISVAMQJWJSZ-ZUKVSWLHSA-N
ChEBI Ontology
Outgoing Relation(s)
Tomatidinol (CHEBI:166815) is a azaspiro compound (CHEBI:35624)
Tomatidinol (CHEBI:166815) is a oxaspiro compound (CHEBI:37948)
Tomatidinol (CHEBI:166815) is a steroid (CHEBI:35341)
IUPAC Name 
(1S,2S,4S,6S,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-ol
Manual XrefsDatabases
17221017ChemSpider
LMST01150005LIPID MAPS