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CHEBI:178609 - Yuccagenin

Default Structure
ChEBI IDCHEBI:178609
ChEBI NameYuccagenin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O4
Net Charge0
Average Mass430.629
Monoisotopic Mass430.30831
SMILES[H][C@@]12CC=C3C[C@@H](O)[C@H](O)C[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@]2([H])O[C@]3(CC[C@@H](C)CO3)[C@@H](C)[C@]12[H]
InChIInChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(28)22(29)13-26(17,4)19(18)8-9-25(20,24)3/h5,15-16,18-24,28-29H,6-14H2,1-4H3/t15-,16+,18-,19+,20+,21-,22-,23+,24+,25+,26+,27-/m1/s1
InChIKeyORXKASWXOVPKDV-UBWBUNFISA-N
ChEBI Ontology
Outgoing Relation(s)
Yuccagenin (CHEBI:178609) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,15R,16R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-15,16-diol
Manual XrefsDatabases
2340787ChemSpider
LMST01080011LIPID MAPS
Registry NumbersSources
CAS:511-97-7ChemIDplus