CHEBI:217528 - Stereinone C

ChEBI IDCHEBI:217528
ChEBI NameStereinone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O3
Net Charge0
Average Mass452.679
Monoisotopic Mass452.32905
SMILESCC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C(=O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3
InChIInChI=1S/C30H44O3/c1-18(2)10-9-11-19(3)20-14-17-29(7)21-12-13-22-27(4,5)23(31)15-16-28(22,6)24(21)25(32)26(33)30(20,29)8/h10,19-20,22H,9,11-17H2,1-8H3/t19-,20-,22+,28+,29+,30+/m1/s1
InChIKeyPBTCJZMDQIVMQF-GQNWFBDHSA-N
Species of MetaboliteComponentSourceComments
Stereumspecies (ncbitaxon:1849817) - PubMed (29197540)
ChEBI Ontology
Outgoing Relation(s)
Stereinone C (CHEBI:217528) 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]-1,2,5,6,7,15,16,17-octahydrocyclopenta[a]phenanthrene-3,11,12-trione