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CHEBI:90999 - sodium 3α,7α-dihydroxy-5β-cholane-24-sulfonate

ChEBI IDCHEBI:90999
ChEBI Namesodium 3α,7α-dihydroxy-5β-cholane-24-sulfonate
Stars
ASCII Namesodium 3alpha,7alpha-dihydroxy-5beta-cholane-24-sulfonate
DefinitionAn organic sodium salt having 3α,7α-dihydroxy-5β-cholane-24-sulfonate as the counterion.
Last Modified10 December 2024
Submitternhn
DownloadsMolfile
FormulaC24H41O5S.Na
Net Charge0
Average Mass464.644
Monoisotopic Mass464.25724
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCCS(=O)(=O)[O-])[C@]1([H])[C@H](O)C2.[Na+]
InChIInChI=1S/C24H42O5S.Na/c1-15(5-4-12-30(27,28)29)18-6-7-19-22-20(9-11-24(18,19)3)23(2)10-8-17(25)13-16(23)14-21(22)26;/h15-22,25-26H,4-14H2,1-3H3,(H,27,28,29);/q;+1/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,23+,24-;/m1./s1
InChIKeyXTWQOSYEUVHDIT-CQRHUGCQSA-M
ChEBI Ontology
Outgoing Relation(s)
sodium 3α,7α-dihydroxy-5β-cholane-24-sulfonate (CHEBI:90999) has part 3α,7α-dihydroxy-5β-cholane-24-sulfonate (CHEBI:131595)
sodium 3α,7α-dihydroxy-5β-cholane-24-sulfonate (CHEBI:90999) is a organic sodium salt (CHEBI:38700)
sodium 3α,7α-dihydroxy-5β-cholane-24-sulfonate (CHEBI:90999) is a organosulfonate salt (CHEBI:64382)
IUPAC Name 
sodium 3α,7α-dihydroxy-5β-cholane-24-sulfonate
Synonyms  Source
CDC-SULSUBMITTER
sodium (3α,5β,7α)-3,7-dihydroxycholane-24-sulfonateIUPAC
Registry NumbersSources
Reaxys:5375380Reaxys
CAS:130593-74-7ChemIDplus
Citations