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CHEBI:198451 - Igniaren C

ChEBI IDCHEBI:198451
ChEBI NameIgniaren C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O2
Net Charge0
Average Mass442.728
Monoisotopic Mass442.38108
SMILESC=C(C[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)[C@@H](C)C1CC3)C(C)C
InChIInChI=1S/C30H50O2/c1-18(2)19(3)17-27(32)21(5)23-11-15-30(8)25-10-9-22-20(4)26(31)13-14-28(22,6)24(25)12-16-29(23,30)7/h18,20-23,26-27,31-32H,3,9-17H2,1-2,4-8H3/t20-,21-,22?,23+,26+,27+,28-,29+,30-/m0/s1
InChIKeySJGDDDWMCGNKNE-DNAHYVPOSA-N
Species of MetaboliteComponentSourceComments
Phellinus igniarius (ncbitaxon:40472) - PubMed (19557671)
ChEBI Ontology
Outgoing Relation(s)
Igniaren C (CHEBI:198451) is a cholanoid (CHEBI:36078)
IUPAC Name 
(3R,4S,10S,13R,14R,17R)-17-[(2S,3R)-3-hydroxy-6-methyl-5-methylideneheptan-2-yl]-4,10,13,14-tetramethyl-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
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78440732ChemSpider