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CHEBI:166817 - Clerosterol

ChEBI IDCHEBI:166817
ChEBI NameClerosterol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48O
Net Charge0
Average Mass412.702
Monoisotopic Mass412.37052
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@H](CC)C(=C)C
InChIInChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,20-21,23-27,30H,2,7-9,11-18H2,1,3-6H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKeyGHGKPLPBPGYSOO-FBZNIEFRSA-N
ChEBI Ontology
Outgoing Relation(s)
Clerosterol (CHEBI:166817) has parent hydride stigmastane (CHEBI:26773)
Clerosterol (CHEBI:166817) is a steroid (CHEBI:35341)
IUPAC Name 
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
4446731ChemSpider
LMST01040124LIPID MAPS
Registry NumbersSources
CAS:2364-23-0ChemIDplus