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CHEBI:217569 - Stereinone J

Default Structure
ChEBI IDCHEBI:217569
ChEBI NameStereinone J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H46O4
Net Charge0
Average Mass482.705
Monoisotopic Mass482.33961
SMILESC=C(CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)C(C)C
InChIInChI=1S/C31H46O4/c1-18(2)19(3)9-10-20(27(34)35)21-11-16-31(8)26-22(12-15-30(21,31)7)29(6)14-13-25(33)28(4,5)24(29)17-23(26)32/h18,20-21,24H,3,9-17H2,1-2,4-8H3,(H,34,35)/t20-,21-,24+,29-,30-,31+/m1/s1
InChIKeyZGEUGFJOGKOWQS-FTVMQSDFSA-N
Species of MetaboliteComponentSourceComments
Stereumspecies (ncbitaxon:1849817) - PubMed (29197540)
ChEBI Ontology
Outgoing Relation(s)
Stereinone J (CHEBI:217569) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2R)-6-methyl-5-methylidene-2-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7-dioxo-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid