Structural formula of 3a,7a,12a-Trihydroxy-5b-cholestan-26-oic acid

3a,7a,12a-Trihydroxy-5b-cholestan-26-oic acid

Product number: 65-1108
CAS number: 547-98-8
Synonyms: 3α,7α,12α-Trihydroxycoprostanic acid, (3α,5β,7α,12α)-3,7,12-Trihydroxycholestan-26-oic acid, 3α,7α,12α-Trihydroxy-5β-cholestan-26-oic acid, 5β-Cholestane-3α,7α,12α-triol-26-oic acid, Trihydroxycoprostanoic acid, Trihydroxycoprostanic acid, Coprocholic acid, 5β-Cholestan-26-oic acid, 3α,7α,12α-trihydroxy-

Identifiers

CAS Index Name: Cholestan-26-oic acid, 3,7,12-trihydroxy-, (3α,5β,7α,12α)-
Molecular formula: C27H46O5
Molecular weight: 450.65
Smiles: O=C(O)C(C)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
Isomeric Smiles: OC1C2(C3(C(C)(C(C(CCCC(C(O)=O)C)C)(CC3)[H])C(O)CC2(C4(C)C(C1)(CC(O)CC4)[H])[H])[H])[H]
InChI: InChI=1S/C27H46O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/t15-,16?,17+,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1
InChIKey: InChIKey=CNWPIIOQKZNXBB-VCVMUKOKSA-N

Product information

Purity: >95%
Storage: Freezer
Supplied as: Neat
Physical state: Solid
Documentation: Certificate of Analysis
MSDS: Download

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65-1108-13a,7a,12a-Trihydroxy-5b-cholestan-26-oic acid - 1 mg170.00 €