(4S)-4-[(3S,5R,8R,9S,10S,13R,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-3-methylideneoxolan-2-one
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(4S)-4-[(3S,5R,8R,9S,10S,13R,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-3-methylideneoxolan-2-one
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CAS No:
69489-48-1
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Formula:
C24H36O4
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Chemical Name:
(4S)-4-[(3S,5R,8R,9S,10S,13R,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-3-methylideneoxolan-2-one
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Synonyms:
22-M-20,22-DDTG;22-methylene-20,22-dihydrodigitoxigenin;22-methylene-20,22-dihydrodigitoxigenin, (3beta,5beta,20R)-isomer;69489-48-1;22-M-20,22-Ddtg;DTXSID90989436;22-Methylene-20,22-dihydrodigitoxigenin;3,14-Dihydroxy-22-methylidenecardanolide;Cardanolide, 3,14-dihydroxy-22-methylene-, (3beta,5beta,20S)-
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CAS No:
(4S)-4-[(3S,5R,8R,9S,10S,13R,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-3-methylideneoxolan-2-one Basic Attributes
388.5 g/mol
388.26135963 g/mol
Computed Properties
Molecular Weight:388.5
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:388.26135963
Monoisotopic Mass:388.26135963
Topological Polar Surface Area:66.8
Heavy Atom Count:28
Complexity:703
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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