[(13S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-yl] sulfate;pyridin-1-ium
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![[(13S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-yl] sulfate;pyridin-1-ium structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/957068fc1d174afe939dda9542c4b6f1.png "[(13S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-yl] sulfate;pyridin-1-ium")
[(13S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-yl] sulfate;pyridin-1-ium
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CAS No:
134223-97-5
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Formula:
C24H31NO5S
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Chemical Name:
[(13S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-yl] sulfate;pyridin-1-ium
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Synonyms:
PMTS;pyridinium 3-methoxyestra-1,3,5(10)-trien-6-yl sulfate;pyridinium 3-methoxyestra-1,3,5(10)-trien-6-yl sulfate, 6beta-isomer;134223-97-5;Pyridinium 3-methoxyestra-1,3,5(10)-trien-6-yl sulfate;(6alpha)-3-Methoxyestra-1,3,5(10)-trien-6-ol hydrogen sulfate compd. with pyridine (1:1);Estra-1,3,5(10)-trien-6-ol, 3-methoxy-, hydrogen sulfate, (6alpha)-, compd. with pyridine (1:1)
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CAS No:
[(13S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-yl] sulfate;pyridin-1-ium Basic Attributes
445.6 g/mol
445.19229426 g/mol
Computed Properties
Molecular Weight:445.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:445.19229426
Monoisotopic Mass:445.19229426
Topological Polar Surface Area:98.2
Heavy Atom Count:31
Complexity:617
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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