3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-10,13-dimethyl-3-[(3S,4R,6R)-3,4,6-trihydroxy-5-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
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![3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-10,13-dimethyl-3-[(3S,4R,6R)-3,4,6-trihydroxy-5-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ade687ec600f4cbb8b43d42f78601011.png "3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-10,13-dimethyl-3-[(3S,4R,6R)-3,4,6-trihydroxy-5-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one")
3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-10,13-dimethyl-3-[(3S,4R,6R)-3,4,6-trihydroxy-5-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
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CAS No:
90632-51-2
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Formula:
C29H42O8
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Chemical Name:
3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-10,13-dimethyl-3-[(3S,4R,6R)-3,4,6-trihydroxy-5-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
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Synonyms:
90632-51-2;Carda-16,20-dienolide, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-14-hydroxy-, (3beta,5beta)-
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CAS No:
3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-10,13-dimethyl-3-[(3S,4R,6R)-3,4,6-trihydroxy-5-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one Basic Attributes
518.6 g/mol
518.28796829 g/mol
Computed Properties
Molecular Weight:518.6
XLogP3:2.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:518.28796829
Monoisotopic Mass:518.28796829
Topological Polar Surface Area:126
Heavy Atom Count:37
Complexity:1010
Defined Atom Stereocenter Count:10
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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