Products 67030-62-0

CAS 67030-62-0 is the registry number for Taurocholic Acid 3–sulfate. Offered by: GLPBio. Available pack sizes: 1mg, 10mg, 5mg, 500μg.

Taurocholic Acid 3–sulfate
GLPBio
  • size: 1mg, 10mg, 5mg, 500μg
  • Variants: 4
from 643.84
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Structural formula: {0} (CAS {1})

2-[[(4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid (CAS 67030-62-0) is a chemical compound with the molecular formula C26H45NO10S2 and a molecular weight of 595.8 g/mol. IUPAC name: 2-[[(4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid. InChIKey: LKTXOQJJFLAZRW-HZAMXZRMSA-N.

Identity
Molecular formulaC26H45NO10S2
Molecular weight595.8 g/mol
IUPAC name2-[[(4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
InChIKeyLKTXOQJJFLAZRW-HZAMXZRMSA-N
SMILESC[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)O)O)C

Computed by PubChem (NCBI)

Synonyms: Taurocholic acid 3-sulfate, N-(3alpha-sulfooxy-7alpha,12alpha-dihydroxy-5beta-cholan-24-oyl)-taurine, Taurocholate 3-sulfate, 3-Sulfocholyl Taurine, N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)-taurine 3-sulfate