CAS
6703-00-0 Purity
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6703-00-0 Purity
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2-[[(3a,5b,7a,12a)-7,12-Dihydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]amino]-ethanesulfonic acid
CAS
67030-62-0
Catalog Number
ACM67030620
Category
Other Products
Molecular Weight
595.766200 [g/mol]
Molecular Formula
C26H45NO10S2
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Specification
Synonyms
KB-310333, 2-[[(3a,5b,7a,12a)-7,12-dihydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]amino]ethanesulfonic acid, 67030-62-0
IUPAC Name
2-[[(4R)-4-[(3R,5R,7R,10S,12S,13R,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
Canonical SMILES
CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)OS(=O)(=O)O)C)O)O)C
InChI Key
LKTXOQJJFLAZRW-ZMEIFNLPSA-N
H-Bond Acceptor
10
H-Bond Donor
5
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