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CHEBI:175573 - 12-Ketoporrigenin

Default Structure
ChEBI IDCHEBI:175573
ChEBI Name12-Ketoporrigenin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O5
Net Charge0
Average Mass446.628
Monoisotopic Mass446.30322
SMILES[H][C@@]12C[C@@H](O)[C@@]3([H])C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC(=O)[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/C27H42O5/c1-14-5-8-27(31-13-14)15(2)24-22(32-27)11-19-17-10-21(29)20-9-16(28)6-7-25(20,3)18(17)12-23(30)26(19,24)4/h14-22,24,28-29H,5-13H2,1-4H3/t14-,15+,16+,17-,18+,19+,20-,21-,22+,24+,25-,26-,27-/m1/s1
InChIKeyAEDBOXCTQDATMF-FBGJJBNLSA-N
ChEBI Ontology
Outgoing Relation(s)
12-Ketoporrigenin (CHEBI:175573) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S,19R)-16,19-dihydroxy-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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