Structural formula of Deoxycholic acid

Deoxycholic acid

Product number: 65-1003
CAS number: 83-44-3
Synonyms: Deoxycholic acid, 17β-[1-Methyl-3-carboxypropyl]-etiocholane-3α,12α-diol, 7-Deoxycholic acid, 3α,12α-Dihydroxycholanic acid, Deoxycholatic acid, Desoxycholic acid, 3α,12α-Dihydroxy-5β-cholan-24-oic acid, 3α,12α-Dihydroxy-5β-cholanic acid, Cholic acid, deoxy-, NSC 8797, 5β-Deoxycholic acid, (3α,5β,12α)-3,12-Dihydroxycholan-24-oic acid, 5β-Cholanic acid-3α,12α-diol, 3α,12α-Dihydroxy-5β-cholanoic acid, 5β-Cholan-24-oic acid, 3α,12α-dihydroxy-

Identifiers

CAS Index Name: Cholan-24-oic acid, 3,12-dihydroxy-, (3α,5β,12α)-
Molecular formula: C24H40O4
Molecular weight: 392.57
Smiles: O=C(O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C
Isomeric Smiles: CC12C(C3(C(C4(C)C(CC3)(CC(O)CC4)[H])(CC1O)[H])[H])(CCC2(C(CCC(O)=O)C)[H])[H]
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: InChIKey=KXGVEGMKQFWNSR-LLQZFEROSA-N

Product information

Purity: >98%
Storage: Freezer
Supplied as: Neat
Physical state: Solid
Documentation: Certificate of Analysis
MSDS: Ask for MSDS

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65-1003-13Deoxycholic acid - 1 g212.00 €
65-1003-9Deoxycholic acid - 100 mg79.00 €