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3beta,12alpha-dihydroxy-5beta-cholan-24-oic acid

Go to external page http://purl.obolibrary.org/obo/CHEBI_88098

A dihydroxy-5beta-cholanic acid in which the two hydroxy groups are located at positions 3beta and 12alpha. The 3beta-hydroxy epimer of deoxycholic acid.

Term info

Label

3beta,12alpha-dihydroxy-5beta-cholan-24-oic acid

Synonyms
  • 3beta,12alpha-dihydroxy-5beta-cholan-24-oic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
3beta,12alpha-dihydroxy-5beta-cholan-24-oic acid [ IUPAC ]

charge

0

formula

C24H40O4

has obo namespace

chebi_ontology

has related synonym

(3beta,5beta,12alpha)-3,12-dihydroxycholan-24-oic acid, 3beta-deoxycholic acid, 3-Epideoxycholic acid, Isodeoxycholic acid

id

CHEBI:88098

inchi

InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17+,18-,19+,20+,21+,23+,24-/m1/s1

inchikey

KXGVEGMKQFWNSR-OFYXWCICSA-N

mass

392.573

monoisotopicmass

392.29266

smiles

C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3(CC[C@@]2(C[C@H](C1)O)[H])[H])(CC[C@@]4([C@@H](CCC(O)=O)C)[H])[H])C)O)[H])C