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CHEBI:214621 - Phycomysterol B

ChEBI IDCHEBI:214621
ChEBI NamePhycomysterol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O
Net Charge0
Average Mass382.632
Monoisotopic Mass382.32357
SMILESCC(C)[C@@H](C)CC[C@@H](C)C1CC[C@H]2c3ccc4c(c3CC[C@]12C)CC[C@H](O)C4
InChIInChI=1S/C27H42O/c1-17(2)18(3)6-7-19(4)25-12-13-26-24-10-8-20-16-21(28)9-11-22(20)23(24)14-15-27(25,26)5/h8,10,17-19,21,25-26,28H,6-7,9,11-16H2,1-5H3/t18-,19+,21-,25?,26-,27+/m0/s1
InChIKeyFYGDBMTUASHJML-QSZDRVGQSA-N
Species of MetaboliteComponentSourceComments
Phycomyces blakesleeanus (ncbitaxon:4837) - PubMed (9868149)
ChEBI Ontology
Outgoing Relation(s)
Phycomysterol B (CHEBI:214621) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(3S,13R,14R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
78436192ChemSpider