(3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
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![(3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/caa5c7cd27d34d388c39d66cff59e6be.png "(3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol")
(3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
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CAS No:
97100-35-1
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Formula:
C29H38N2O2S
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Chemical Name:
(3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
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Synonyms:
97100-35-1;17-beta-(2-(o-Toluidino)-4-thiazolyl)androst-4-ene-3-beta,17-alpha-diol;ANDROST-4-ENE-3-beta,17-alpha-DIOL, 17-beta-(2-(o-TOLUIDINO)-4-THIAZOLYL)-;DTXSID30914181;17-{2-[(2-Methylphenyl)imino]-2,3-dihydro-1,3-thiazol-4-yl}androst-4-ene-3,17-diol
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CAS No:
(3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol Basic Attributes
478.7 g/mol
478.26539963 g/mol
Computed Properties
Molecular Weight:478.7
XLogP3:6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:478.26539963
Monoisotopic Mass:478.26539963
Topological Polar Surface Area:93.6
Heavy Atom Count:34
Complexity:820
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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