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CHEBI:233823 - Cholestane-3,5,6,26-tetrol

Default Structure
ChEBI IDCHEBI:233823
ChEBI NameCholestane-3,5,6,26-tetrol
Stars
SubmitterJoanne
DownloadsMolfile
FormulaC27H48O4
Net Charge0
Average Mass436.677
Monoisotopic Mass436.35526
SMILESCC(CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C27H48O4/c1-17(16-28)6-5-7-18(2)21-8-9-22-20-14-24(30)27(31)15-19(29)10-13-26(27,4)23(20)11-12-25(21,22)3/h17-24,28-31H,5-16H2,1-4H3/t17?,18-,19+,20+,21-,22+,23+,24-,25-,26-,27+/m1/s1
InChIKeyPFYSRSDOSXYIFG-DUNVRISLSA-N
ChEBI Ontology
Outgoing Relation(s)
Cholestane-3,5,6,26-tetrol (CHEBI:233823) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(1R,3aS,3bS,5R,5aR,7S,9aR,9bS,11aR)-1-[(2R)-7-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-5,5a,7-triol
Citations