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CHEBI:200816 - Sporulene B

ChEBI IDCHEBI:200816
ChEBI NameSporulene B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H54
Net Charge0
Average Mass474.817
Monoisotopic Mass474.42255
SMILESC=C1CC[C@H]2[C@]3(C)CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1CC[C@@H](C)c1ccc(C)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/h10-11,14-15,25,28-31H,3,9,12-13,16-23H2,1-2,4-8H3/t25-,28+,29+,30-,31-,33-,34+,35+/m1/s1
InChIKeyZRZKSUXNULZPHV-ATJBQKKCSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (18630919)
ChEBI Ontology
Outgoing Relation(s)
Sporulene B (CHEBI:200816) is a scalarane sesterterpenoid (CHEBI:59370)
IUPAC Name 
(1S,4aR,4bR,6aS,10aS,10bR,12aR)-4b,7,7,10a,12a-pentamethyl-2-methylidene-1-[(3R)-3-(4-methylphenyl)butyl]-3,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydro-1H-chrysene
Manual XrefsDatabases
78436679ChemSpider