CAS
7501-59-9 Purity
96%
7501-59-9 Purity
96%
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Tauroselcholic acid
CAS
75018-71-2
Catalog Number
ACM75018712
Category
Other Products
Molecular Weight
594.667
Molecular Formula
C26H45NO7SSe
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Specification
Synonyms
Tauroselcholic acid, CID3086012, 75018-71-2
IUPAC Name
2-[[2-[(2S)-2-[(3R,5S,7R,8R,9S,10S,12S,13S,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]propyl]selanylacetyl]amino]ethanesulfonic acid
Canonical SMILES
CC(C[Se]CC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
InChI Key
JCMLWGQJPSGGEI-HZAMXZRMSA-N
Exact Mass
595.20800
H-Bond Acceptor
7
H-Bond Donor
5
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