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TAUROLITHOCHOLIC ACID SODIUM SALT structure, CAS 6042-32-6

TAUROLITHOCHOLIC ACID SODIUM SALT

CAS Number6042-32-6

Synonymssodium 2-[[(4R)-4-[(3R,5R,8R,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate; sodium 2-[[(4R)-4-[(3R,5R,8R,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-oxopentyl]amino]ethanesulfonate; 2-(((3alpha,5beta)-3-Hydroxy-24-oxocholan-24-yl)amino)ethanesulfonic acid monosodium salt; Ethanesulfonic acid, 2-(((3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl)amino)-, monosodium salt

Molecular FormulaC26H44NO5SNa

Molecular Weight505.69

Purity≥97.0 (TLC)%

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Cat. No.: 2A-1198154 Purity: ≥97.0 (TLC)%
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Quality Control of [ 6042-32-6 ] Purity: ≥97.0 (TLC)% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number6042-32-6
Catalog No.2A-1198154
Synonymssodium 2-[[(4R)-4-[(3R,5R,8R,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate; sodium 2-[[(4R)-4-[(3R,5R,8R,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-oxopentyl]amino]ethanesulfonate; 2-(((3alpha,5beta)-3-Hydroxy-24-oxocholan-24-yl)amino)ethanesulfonic acid monosodium salt; Ethanesulfonic acid, 2-(((3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl)amino)-, monosodium salt
Molecular FormulaC26H44NO5SNa
Molecular Weight505.69
Purity≥97.0 (TLC)
PubChem ID24900457
SMILESC[C@H](CCC(NCCS(=O)(O)=O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C.[Na]
InChI1S/C26H45NO5S.Na.H/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3;;/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32);;/t17-,18-,19-,20+,21-,22+,23+,25+,26-;;/m1../s1
InChI KeyCMXYYIRKQPXCIE-RLHFEMFKSA-N
NACRES CodeNA.25
UNSPSC12161900
MSDSmsds/200038_1_6042_32_6.pdf
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