Product Code

TRC-S789250

CAS Number

58822-35-8

Product Format

Neat

Molecular Formula

C24 H38 O8 S . 2Na

Molecular Weight

532.6

Product Categories

Bile acids, TRC, Pharmaceutical Toxicology Reference Materials , API Reference Standards & Research Materials

Product Type

API

Alternate CAS Number

Free Acid: 60320-05-0

Analytical Method

HPLC

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

7-Sulfocholic Acid Disodium

CAS Number

58822-35-8

Molecular Formula

C24 H38 O8 S . 2Na

Molecular Weight

532.6

Accurate Mass

532.21

SMILES

O=C(CC[C@H]([C@@]1([H])CC[C@@]([H])([C@@]2([C@@H](C[C@@]3(C[C@@H](CC[C@@]3([C@]2(C[C@@H]4O)[H])C)O)[H])OS(=O)(O[Na])=O)[H])[C@@]14C)C)O[Na]

InChI

InChI=1S/C24H40O8S.2Na/c1-13(4-7-21(27)28)16-5-6-17-22-18(12-20(26)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)32-33(29,30)31;;/h13-20,22,25-26H,4-12H2,1-3H3,(H,27,28)(H,29,30,31);;/q;2*+1/p-2/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-;;/m1../s1

IUPAC

sodium (R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-7-(sulfonatooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate

Alternate CAS Number

Free Acid: 60320-05-0

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Analytical Method

HPLC

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7-Sulfocholic Acid Disodium

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