CAS 361-09-1 Sodium cholate - Materials / Alfa Chemistry

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Polymerization Additives

Sodium cholate

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Catalog Number

ACM361091

Product Name

Sodium cholate

Structure

CAS

361-09-1

Category

Polymerization Additives

Synonyms

3α,7α,12α-Trihydroxy-5β-cholan-24-oic acid, monosodium salt

IUPAC Name

sodium;(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

Molecular Weight

430.6

Molecular Formula

C24H39O5Na

Canonical SMILES

CC(CCC(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+]

InChI

InChI=1S/C24H40O5.Na/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);/q;+1/p-1/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-;/m1./s1

InChI Key

NRHMKIHPTBHXPF-TUJRSCDTSA-M

Melting Point

292 °C

Purity

≥98%

Solubility

≥40% (in water at 20 °C)

Appearance

White powder

Complexity

643