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CHEBI:175445 - 29-Methylisofucosterol

ChEBI IDCHEBI:175445
ChEBI Name29-Methylisofucosterol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O
Net Charge0
Average Mass426.729
Monoisotopic Mass426.38617
SMILES[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CC/C(=C/CC)C(C)C
InChIInChI=1S/C30H50O/c1-7-8-22(20(2)3)10-9-21(4)26-13-14-27-25-12-11-23-19-24(31)15-17-29(23,5)28(25)16-18-30(26,27)6/h8,11,20-21,24-28,31H,7,9-10,12-19H2,1-6H3/b22-8-/t21-,24+,25+,26-,27+,28+,29+,30-/m1/s1
InChIKeyLVMOSMRIAUDGQC-CDXQRKPWSA-N
ChEBI Ontology
Outgoing Relation(s)
29-Methylisofucosterol (CHEBI:175445) has parent hydride stigmastane (CHEBI:26773)
29-Methylisofucosterol (CHEBI:175445) is a steroid (CHEBI:35341)
IUPAC Name 
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-yloct-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
LMST01050007LIPID MAPS
4947711ChemSpider
Registry NumbersSources
CAS:35339-71-0ChemIDplus