(3R)-3-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butane-1-sulfonic acid
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![(3R)-3-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butane-1-sulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/baac00fc9f704320835eb172928dad75.png "(3R)-3-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butane-1-sulfonic acid")
(3R)-3-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butane-1-sulfonic acid
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CAS No:
145523-79-1
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Formula:
C23H40O5S
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Chemical Name:
(3R)-3-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butane-1-sulfonic acid
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Synonyms:
3,7-dihydroxy-24-norcholane-23-sulfonate;3alpha,7alpha-dihydroxy-24-nor-5beta-cholane-23-sulfonate;3alpha,7beta-dihydroxy-24-nor-5beta-cholane-23-sulfonate;norCDC-sul;norUDC-SO3Na;Norcdc-sul;Norudc-SO3Na;3,7-Dihydroxy-24-norcholane-23-sulfonate;145523-79-1;3alpha,7alpha-Dihydroxy-24-nor-5beta-cholane-23-sulfonate;3alpha,7beta-Dihydroxy-24-nor-5beta-cholane-23-sulfonate;(3R)-3-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butane-1-sulfonic acid;24-Norcholane-23-sulfonic acid, 3,7-dihydroxy-, (3alpha,5beta,7alpha)-
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CAS No:
(3R)-3-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butane-1-sulfonic acid Basic Attributes
428.6 g/mol
428.25964555 g/mol
Computed Properties
Molecular Weight:428.6
XLogP3:4.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:428.25964555
Monoisotopic Mass:428.25964555
Topological Polar Surface Area:103
Heavy Atom Count:29
Complexity:717
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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