Structural formula of Cholic acid (2,2,4,4-D4,98%)

Cholic acid (2,2,4,4-D4,98%)

Product number: 65-1054
CAS number: 116380-66-6
Synonyms: (3α,5β,7α,12α)-3,7,12-Trihydroxycholan-24-oic-2,2,4,4-d4 acid, Cholic acid-2,2,4,4-d4, Cholic acid-d4

Identifiers

CAS Index Name: Cholan-24-oic-2,2,4,4-d4 acid, 3,7,12-trihydroxy-, (3α,5β,7α,12α)-
Molecular formula: C24H36D4O5
Molecular weight: 412.6
Smiles: O=C(O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
Isomeric Smiles: OC1C2(C3(C(C)(C(C(CCC(O)=O)C)(CC3)[H])C(O)CC2(C4(C)C(C1)(C(C(O)C(C4)([2H])[2H])([2H])[2H])[H])[H])[H])[H]
InChI: InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1/i8D2,10D2
InChIKey: InChIKey=BHQCQFFYRZLCQQ-YFEOEUIKSA-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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65-1054-9Cholic acid (2,2,4,4-D4,98%) - 100 mg