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CHEBI:205091 - Igniaren B

ChEBI IDCHEBI:205091
ChEBI NameIgniaren B
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DownloadsMolfile
FormulaC30H48O2
Net Charge0
Average Mass440.712
Monoisotopic Mass440.36543
SMILESC=C(C[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=CCC4[C@H](C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)C
InChIInChI=1S/C30H48O2/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/h10,12,18,20-23,26-27,31-32H,3,9,11,13-17H2,1-2,4-8H3/t20-,21-,22?,23+,26+,27+,28-,29+,30-/m0/s1
InChIKeyORNNIOPPXVEPKC-DNAHYVPOSA-N
Species of MetaboliteComponentSourceComments
Phellinus igniarius (ncbitaxon:40472) - PubMed (19557671)
ChEBI Ontology
Outgoing Relation(s)
Igniaren B (CHEBI:205091) 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-1,2,3,4,5,6,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
78441033ChemSpider