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Deoxycholic acid

  • Formula: C24H40O4

  • Molecular weight: 392.60

  • Smiles: CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C

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Deoxycholic acid

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Deoxycholic acid

  • First synonym: Deoxycholic acid

  • Synonyms: DEOXYCHOLIC ACID,83-44-3,deoxycholate,Desoxycholic acid,Cholerebic,Cholorebic,Choleic acid,Degalol,Deoxycholatic acid,Droxolan,Pyrochol,Septochol,Desoxycholsaeure,7alpha-Deoxycholic acid,Cholic acid, deoxy-,3alpha,12alpha-Dihydroxy-5beta-cholanic acid,Dihydroxycholanoic acid,ATX-101,7-Deoxycholic acid,(3alpha,5beta,12alpha)-3,12-Dihydroxycholan-24-oic acid,3,12-Dihydroxycholanic acid,Deoxy cholic acid,3alpha,12alpha-Dihydroxy-5beta-cholan-24-oic acid,5-beta-Deoxycholic acid,Desoxycholsaeure [German],UNII-005990WHZZ,NSC8797,NSC 8797,MFCD00003673,(R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid,7.alpha.-Deoxycholic acid,(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid,Kybella,CHEBI:28834,Cholan-24-oic acid, 3,12-dihydroxy-, (3alpha,5beta,12alpha)-,005990WHZZ,3-alpha,12-alpha-Dihydroxycholansaeure [German],3-alpha,12-alpha-Dihydroxy-5-beta-cholanoic acid,5beta-Cholan-24-oic acid, 3alpha,12alpha-dihydroxy-,3-alpha,12-alpha-Dihydroxy-5-beta-cholan-24-oic acid,Cholan-24-oic acid, 3,12-dihydroxy-, (3a,5b,12a)-,Cholan-24-oic, 3,12-dihydroxy-(3alpha,5beta,12alpha)-,3,12-Dihydroxycholan-24-oic acid, (3alpha,5beta,12alpha)-,3.alpha.,12.alpha.-Dihydroxycholanic acid,17-beta-(1-Methyl-3-carboxypropyl)-etiocholane-3-alpha,12-alpha-diol,l7-beta-(1-Methyl-3-carboxypropyl)-etiocholane-3-alpha,12-alpha-diol,3alpha,12alpha-Dihydroxy-5beta-cholanate,3.alpha.,12.alpha.-Dihydroxy-5.beta.-cholanic acid,3.alpha.,12.alpha.-Dihydroxy-5.beta.-cholanoic acid,3.alpha.,12.alpha.-Dihydroxy-5.beta.-cholan-24-oic acid,5-beta-Cholan-24-oic acid, 3-alpha,12-alpha-dihydroxy-,NSC-8797,17.beta.-(1-Methyl-3-carboxypropyl)-etiocholane-3.alpha.,12.alpha.-diol,ATX 101,DXC,SMR000112166,Desoxycholic acid [NF],Deoxycholatate,de-oxycholate,3-Hydroxy-polydeoxycholic acid,deoxy-Cholate,3alpha-Hydroxy-polydeoxycholate,Deoxycholic acid [USAN:INN],deoxycholic-acid,ATX101,CCRIS 1627,HSDB 293,5b-Deoxycholate,3alpha,7-Deoxycholate,deoxy-Cholic acid,EINECS 201-478-5,Kybella (TN),5b-Deoxycholic acid,7-Desoxycholic acid,3-alpha,12-alpha-Dihydroxycholansaeure,BRN 3219882,1e3v,Spectrum5_002007,bmse000833,SCHEMBL4300,Deoxycholic acid (NF/INN),BIDD:PXR0198,GTPL610,4-10-00-01608 (Beilstein Handbook Reference),MLS001066423,MLS001306460,CHEMBL406393,DWJ211,5b-Cholanic acid-3a,12a-diol,DTXSID0042662,DWJ-211,HMS2270H22,HY-N0593,ZINC3914810,Deoxycholic acid, >=98% (HPLC),BBL013877,BDBM50375599,Deoxycholic acid, >=99.0% (T),LMST04010040,s4689,SBB058040,STK801948,AKOS005622617,CCG-268565,CS-7613,DB03619,MCULE-2553099876,AS-13233,BP-13275,H681,NCI60_041946,3-.alpha.,12-.alpha.-Dihydroxycholansaeure,Deoxycholic acid, BioXtra, >=98% (HPLC),C04483,D10781,D85117,25793-EP2289879A1,25793-EP2295401A2,25793-EP2315303A1,Q425680,SR-01000765601,5.beta.-Cholan-24-oic acid,12.alpha.-dihydroxy-,SR-01000765601-2,3I+/-,12I+/--Dihydroxy-5I(2)-cholansA currencyure,Z1945707492,UNII-JIY1ILR284 component KXGVEGMKQFWNSR-LLQZFEROSA-N,5.beta.-Cholan-24-oic acid, 3.alpha.,12.alpha.-dihydroxy-,5beta-Cholan-24-oic acid, 3alpha,12alpha-dihydroxy- (8CI),3,12-Dihydroxycholan-24-oic acid, (3.alpha.,5.beta.,12.alpha.)- #,Cholan-24-oic acid, 3,12-dihydroxy-, (3-alpha,5-beta,12-alpha)-,Cholan-24-oic acid, 3,12-dihydroxy-, (3-alpha,5-beta,12-alpha)- (9CI),Cholan-24-oic acid,12-dihydroxy-, (3.alpha.,5.beta.,12.alpha.)-,Deoxycholic acid, 500 mug/mL in methanol, certified reference material,(3alpha,5alpha,8alpha,12alpha,14beta,17alpha)-3,12-dihydroxycholan-24-oic acid,Cholan-24-oic acid, 3,12-dihydroxy-, (3-.alpha., 5-.beta.,12-.alpha.)-,Cholan-24-oic acid, 3,12-dihydroxy-, (3alpha,5beta,12alpha)-, homopolymer,Deoxycholic Acid (Desoxycholic Acid), United States Pharmacopeia (USP) Reference Standard,l7-.beta.-(1-Methyl-3-carboxypropyl)-etiocholane-3-.alpha.,12-.alpha.-diol,(4R)-4-((1S,2S,11S,16S,5R,7R,10R,14R,15R)-5,16-dihydroxy-2,15-dimethyltetracyc lo[8.7.0.0<2,7>.0<11,15>]heptadec-14-yl)pentanoic acid,(4R)-4-((3R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid,(4R)-4-[(1S,2S,5R,7R,10R,11S,14R,15R,16S)-5,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid

Identifiers / External links

Structure

  • Smiles: CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C

  • Isomeric smiles: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

  • 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-LLQZFEROSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C24H40O4

  • Molecular weight: 392.60

  • Monoisotopic mass: 392.29265975

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