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CHEBI:35517 - 5β-cholestane

ChEBI IDCHEBI:35517
ChEBI Name5β-cholestane
Stars
ASCII Name5beta-cholestane
Last Modified8 April 2025
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC27H48
Net Charge0
Average Mass372.681
Monoisotopic Mass372.37560
SMILES[H][C@@]12CCCC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCCC(C)C)[C@]1([H])CC2
InChIInChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyXIIAYQZJNBULGD-CJPSHIORSA-N
ChEBI Ontology
Outgoing Relation(s)
5β-cholestane (CHEBI:35517) is a cholestane (CHEBI:35516)
Incoming Relation(s)
2-deoxyecdysone (CHEBI:19566) has parent hydride 5β-cholestane (CHEBI:35517)
2,22-dideoxy-3-dehydroecdysone (CHEBI:80533) has parent hydride 5β-cholestane (CHEBI:35517)
2,22-dideoxyecdysone (CHEBI:80530) has parent hydride 5β-cholestane (CHEBI:35517)
2,22,25-trideoxyecdysone (CHEBI:19290) has parent hydride 5β-cholestane (CHEBI:35517)
2,25-dideoxy-3-dehydroecdysone (CHEBI:232945) has parent hydride 5β-cholestane (CHEBI:35517)
25-deoxyecdysone (CHEBI:19814) has parent hydride 5β-cholestane (CHEBI:35517)
3-dehydro-2-deoxyecdysone (CHEBI:80532) has parent hydride 5β-cholestane (CHEBI:35517)
3α,7α-dihydroxy-5β-cholestan-26-al (CHEBI:27428) has parent hydride 5β-cholestane (CHEBI:35517)
3α,7α-dihydroxy-5β-cholestan-26-oic acid (CHEBI:16577) has parent hydride 5β-cholestane (CHEBI:35517)
3α,7α,12α-trihydroxy-5β-cholestan-26-al (CHEBI:16466) has parent hydride 5β-cholestane (CHEBI:35517)
3α,7α,12α-trihydroxy-5β-cholestan-26-oic acid (CHEBI:18402) has parent hydride 5β-cholestane (CHEBI:35517)
3α,7α,12α,24-tetrahydroxy-5β-cholestan-26-oic acid (CHEBI:48742) has parent hydride 5β-cholestane (CHEBI:35517)
3α,7α,24-trihydroxy-5β-cholestan-26-al (CHEBI:48734) has parent hydride 5β-cholestane (CHEBI:35517)
3α,7α,24-trihydroxy-5β-cholestan-26-oic acid (CHEBI:48736) has parent hydride 5β-cholestane (CHEBI:35517)
3α,7β-dihydroxy-5β-cholest-24-en-26-oic acid (CHEBI:72727) has parent hydride 5β-cholestane (CHEBI:35517)
5,6β-epoxy-5β-cholestane (CHEBI:28033) has parent hydride 5β-cholestane (CHEBI:35517)
5b-Cholestane-3a,7a,12a,23-tetrol (CHEBI:149580) has parent hydride 5β-cholestane (CHEBI:35517)
5b-cholestane-3a,7a,12a,23S,25-pentol (CHEBI:145966) has parent hydride 5β-cholestane (CHEBI:35517)
5β-cholest-7-ene (CHEBI:35866) has parent hydride 5β-cholestane (CHEBI:35517)
5β-cholestan-3-one (CHEBI:16074) has parent hydride 5β-cholestane (CHEBI:35517)
5β-cholestane-3α,7α-diol (CHEBI:28047) has parent hydride 5β-cholestane (CHEBI:35517)
5β-cholestane-3α,7α,12α-triol (CHEBI:16496) has parent hydride 5β-cholestane (CHEBI:35517)
5β-cholestane-3α,7α,12α,24-tetrol (CHEBI:48728) has parent hydride 5β-cholestane (CHEBI:35517)
5β-cholestane-3α,7α,12α,24,26-pentol (CHEBI:48732) has parent hydride 5β-cholestane (CHEBI:35517)
5β-cholestane-3α,7α,12α,25-tetrol (CHEBI:169973) has parent hydride 5β-cholestane (CHEBI:35517)
5β-cholestane-3α,7α,12α,26-tetrol (CHEBI:17278) has parent hydride 5β-cholestane (CHEBI:35517)
5β-cholestane-3α,7α,24-triol (CHEBI:48700) has parent hydride 5β-cholestane (CHEBI:35517)
5β-cholestane-3α,7α,24,26-tetrol (CHEBI:48731) has parent hydride 5β-cholestane (CHEBI:35517)
5β-cholestane-3α,7α,25-triol (CHEBI:169972) has parent hydride 5β-cholestane (CHEBI:35517)
5β-cholestane-3α,7α,26-triol (CHEBI:28540) has parent hydride 5β-cholestane (CHEBI:35517)
5β-cyprinol (CHEBI:37913) has parent hydride 5β-cholestane (CHEBI:35517)
5β-scymnol (CHEBI:50106) has parent hydride 5β-cholestane (CHEBI:35517)
7α-hydroxy-5β-cholestan-3-one (CHEBI:2290) has parent hydride 5β-cholestane (CHEBI:35517)
7α,12α-dihydroxy-5β-cholestan-3-one (CHEBI:2288) has parent hydride 5β-cholestane (CHEBI:35517)
7α,12α,24-trihydroxy-5β-cholestan-3-one (CHEBI:48715) has parent hydride 5β-cholestane (CHEBI:35517)
7α,12α,26-trihydroxy-5β-cholestan-3-one (CHEBI:48834) has parent hydride 5β-cholestane (CHEBI:35517)
7α,24-dihydroxy-5β-cholestan-3-one (CHEBI:48698) has parent hydride 5β-cholestane (CHEBI:35517)
7α,26-dihydroxy-5β-cholestan-3-one (CHEBI:48778) has parent hydride 5β-cholestane (CHEBI:35517)
cholesterol β-epoxide (CHEBI:28164) has parent hydride 5β-cholestane (CHEBI:35517)
coprostanol (CHEBI:89519) has parent hydride 5β-cholestane (CHEBI:35517)
ecdysone (CHEBI:16688) has parent hydride 5β-cholestane (CHEBI:35517)
muristerone A (CHEBI:232104) has parent hydride 5β-cholestane (CHEBI:35517)
IUPAC Name 
5β-cholestane
Synonyms  Source
coprostaneNIST Chemistry WebBook
β-cholestaneNIST Chemistry WebBook
(5β)-cholestaneChEBI
pseudocholestaneNIST Chemistry WebBook
Manual XrefsDatabases
LMST01010085LIPID MAPS
Registry NumbersSources
Beilstein:2051807Beilstein
CAS:481-20-9NIST Chemistry WebBook