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CHEBI:198407 - Fornicatin C

ChEBI IDCHEBI:198407
ChEBI NameFornicatin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O3
Net Charge0
Average Mass456.711
Monoisotopic Mass456.36035
SMILESCC(C)=CCCC(C)C1=C2[C@H](C(=O)O)C[C@H]3[C@@H](CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)[C@]2(C)CC1
InChIInChI=1S/C30H48O3/c1-18(2)9-8-10-19(3)20-13-15-30(7)22-11-12-24-28(4,5)25(31)14-16-29(24,6)23(22)17-21(26(20)30)27(32)33/h9,19,21-25,31H,8,10-17H2,1-7H3,(H,32,33)/t19?,21-,22-,23+,24+,25+,29-,30+/m1/s1
InChIKeyXXXRQJARRNNBRC-BPYMQLRLSA-N
Species of MetaboliteComponentSourceComments
Ganoderma fornicatum (ncbitaxon:36071) - DOI (10.1002/hlca.200690081)
ChEBI Ontology
Outgoing Relation(s)
Fornicatin C (CHEBI:198407) is a 3β-hydroxy steroid (CHEBI:36836)
IUPAC Name 
(3S,5R,8R,9S,10R,12R,14S)-3-hydroxy-4,4,10,14-tetramethyl-17-(6-methylhept-5-en-2-yl)-1,2,3,5,6,7,8,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthrene-12-carboxylic acid
Manual XrefsDatabases
78440726ChemSpider