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CHEBI:198960 - (1R,2R,4aS,4bR,6aS,10aS,12aS)-2,4b,7,7,10a,12a-hexamethyl-1-[3-(4-methylphenyl)butyl]-3,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydro-1H-chrysen-2-ol

ChEBI IDCHEBI:198960
ChEBI Name(1R,2R,4aS,4bR,6aS,10aS,12aS)-2,4b,7,7,10a,12a-hexamethyl-1-[3-(4-methylphenyl)butyl]-3,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydro-1H-chrysen-2-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H56O
Net Charge0
Average Mass492.832
Monoisotopic Mass492.43312
SMILESCc1ccc(C(C)CC[C@@H]2[C@@]3(C)CCC4[C@@](C)(CC[C@H]5C(C)(C)CCC[C@]45C)[C@@H]3CC[C@@]2(C)O)cc1
InChIInChI=1S/C35H56O/c1-24-10-13-26(14-11-24)25(2)12-15-30-34(7)22-17-28-32(5)20-9-19-31(3,4)27(32)16-21-33(28,6)29(34)18-23-35(30,8)36/h10-11,13-14,25,27-30,36H,9,12,15-23H2,1-8H3/t25?,27-,28?,29-,30+,32-,33+,34-,35+/m0/s1
InChIKeyUIYOFGICAOMDQH-LVXDOFCUSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (20085287)
ChEBI Ontology
Outgoing Relation(s)
(1R,2R,4aS,4bR,6aS,10aS,12aS)-2,4b,7,7,10a,12a-hexamethyl-1-[3-(4-methylphenyl)butyl]-3,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydro-1H-chrysen-2-ol (CHEBI:198960) is a scalarane sesterterpenoid (CHEBI:59370)
IUPAC Name 
(1R,2R,4aS,4bR,6aS,10aS,12aS)-2,4b,7,7,10a,12a-hexamethyl-1-[3-(4-methylphenyl)butyl]-3,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydro-1H-chrysen-2-ol
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