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CHEBI:200676 - Sporulene C

ChEBI IDCHEBI:200676
ChEBI NameSporulene C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H54
Net Charge0
Average Mass474.817
Monoisotopic Mass474.42255
SMILESCc1ccc([C@H](C)CC[C@H]2C(C)C=C[C@H]3[C@]4(C)CC[C@H]5C(C)(C)CCC[C@]5(C)[C@H]4CC[C@@]32C)cc1
InChIInChI=1S/C35H54/c1-24-10-14-27(15-11-24)25(2)12-16-28-26(3)13-17-30-33(28,6)22-19-31-34(7)21-9-20-32(4,5)29(34)18-23-35(30,31)8/h10-11,13-15,17,25-26,28-31H,9,12,16,18-23H2,1-8H3/t25-,26?,28+,29+,30-,31-,33-,34+,35+/m1/s1
InChIKeyPFALEWMODCLBRK-TWXYCODISA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (18630919)
ChEBI Ontology
Outgoing Relation(s)
Sporulene C (CHEBI:200676) is a scalarane sesterterpenoid (CHEBI:59370)
IUPAC Name 
(1S,4aR,4bR,6aS,10aS,10bR,12aR)-2,4b,7,7,10a,12a-hexamethyl-1-[(3R)-3-(4-methylphenyl)butyl]-1,2,4a,5,6,6a,8,9,10,10b,11,12-dodecahydrochrysene
Manual XrefsDatabases
78436647ChemSpider