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CHEBI:217514 - Stereinone A

Default Structure
ChEBI IDCHEBI:217514
ChEBI NameStereinone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O2
Net Charge0
Average Mass438.696
Monoisotopic Mass438.34978
SMILESCC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC(=O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3
InChIInChI=1S/C30H46O2/c1-19(2)10-9-11-20(3)21-14-17-29(7)22-12-13-24-27(4,5)25(31)15-16-28(24,6)23(22)18-26(32)30(21,29)8/h10,20-21,24H,9,11-18H2,1-8H3/t20-,21-,24+,28-,29+,30+/m1/s1
InChIKeyABXOPBCCCLCPDB-CSKRNNOXSA-N
Species of MetaboliteComponentSourceComments
Stereumspecies (ncbitaxon:1849817) - PubMed (29197540)
ChEBI Ontology
Outgoing Relation(s)
Stereinone A (CHEBI:217514) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(5R,10S,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,5,6,7,11,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,12-dione