(17a)-17-(Acetyloxy)-19-norpregna-1,3,5(10)-trien-20-yn-3-yl--D-Glucopyranosiduronic Acid Methyl Ester Triacetate
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(17a)-17-(Acetyloxy)-19-norpregna-1,3,5(10)-trien-20-yn-3-yl--D-Glucopyranosiduronic Acid Methyl Ester Triacetate
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CAS No:
242130-33-2
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Formula:
C35H40O12
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Chemical Name:
(17a)-17-(Acetyloxy)-19-norpregna-1,3,5(10)-trien-20-yn-3-yl--D-Glucopyranosiduronic Acid Methyl Ester Triacetate
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Synonyms:
(17a)-17-(Acetyloxy)-19-norpregna-1,3,5(10)-trien-20-yn-3-yl--D-Glucopyranosiduronic Acid Methyl Ester Triacetate;Ethynylestradiol 17-Acetate 3-(2’, 3’,4’-Tri-O-acetyl)--D-glucuronide Methyl Ester;Ethynyl estradiol 17-acetate-3-(2',3',4'-tri-O-acetyl-b-D-glucuronide) methyl ester;(17α)-17-(Acetyloxy)-19-norpregna-1,3,5(10)-trien-20-yn-3-yl-β-D-Glucopyranosiduronic Acid Methyl Ester Triacetate
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CAS No:
(17a)-17-(Acetyloxy)-19-norpregna-1,3,5(10)-trien-20-yn-3-yl--D-Glucopyranosiduronic Acid Methyl Ester Triacetate Basic Attributes
654.7
654.267627
(17a)-17-(Acetyloxy)-19-norpregna-1,3,5(10)-trien-20-yn-3-yl--D-Glucopyranosiduronic Acid Methyl Ester Triacetate Use and Manufacturing
Intermediate for the preparation of Ethynylestradiol 3-β-D-Glucuronid.
Computed Properties
Molecular Weight:654.7
XLogP3:4.3
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:13
Exact Mass:654.26762677
Monoisotopic Mass:654.26762677
Topological Polar Surface Area:150
Heavy Atom Count:47
Complexity:1300
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(17a)-17-(Acetyloxy)-19-norpregna-1,3,5(10)-trien-20-yn-3-yl--D-Glucopyranosiduronic Acid Methyl Ester Triacetate
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