3-[(3S,5R,8R,9S,10S,13R,17S)-3-[2-(4-hydroxyphenyl)ethylamino]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
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![3-[(3S,5R,8R,9S,10S,13R,17S)-3-[2-(4-hydroxyphenyl)ethylamino]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/cbd24d49cc8e4c82835dfea82b534a7f.png "3-[(3S,5R,8R,9S,10S,13R,17S)-3-[2-(4-hydroxyphenyl)ethylamino]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one")
3-[(3S,5R,8R,9S,10S,13R,17S)-3-[2-(4-hydroxyphenyl)ethylamino]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
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CAS No:
99223-90-2
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Formula:
C31H41NO3
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Chemical Name:
3-[(3S,5R,8R,9S,10S,13R,17S)-3-[2-(4-hydroxyphenyl)ethylamino]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
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Synonyms:
99223-90-2;DTXSID20912833;Carda-14,20(22)-dienolide, 3-((2-(4-hyroxyphenyl)ethyl)amino)-, (3beta,5beta)-;3-{[2-(4-Hydroxyphenyl)ethyl]amino}carda-14,20(22)-dienolide
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CAS No:
3-[(3S,5R,8R,9S,10S,13R,17S)-3-[2-(4-hydroxyphenyl)ethylamino]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one Basic Attributes
475.7 g/mol
475.30864417 g/mol
Computed Properties
Molecular Weight:475.7
XLogP3:5.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:475.30864417
Monoisotopic Mass:475.30864417
Topological Polar Surface Area:58.6
Heavy Atom Count:35
Complexity:886
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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