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CHEBI:212289 - Miliacin

Default Structure
ChEBI IDCHEBI:212289
ChEBI NameMiliacin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H52O
Net Charge0
Average Mass440.756
Monoisotopic Mass440.40182
SMILESCO[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2CCC2C4=CC(C)(C)CC[C@]4(C)CCC23C)C1(C)C
InChIInChI=1S/C31H52O/c1-26(2)16-17-28(5)18-19-30(7)21(22(28)20-26)10-11-24-29(6)14-13-25(32-9)27(3,4)23(29)12-15-31(24,30)8/h20-21,23-25H,10-19H2,1-9H3/t21?,23?,24?,25-,28+,29-,30?,31+/m0/s1
InChIKeyYZBNXQLCEJJXSC-YIYCLLTRSA-N
Species of MetaboliteComponentSourceComments
Chaetomium olivaceum (ncbitaxon:1087732) - DOI (10.1023/a:1015068520694)
ChEBI Ontology
Outgoing Relation(s)
Miliacin (CHEBI:212289) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(3S,6aR,8aR,14bR)-3-methoxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicene
Manual XrefsDatabases
10479049ChemSpider