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Home > Encyclopedia > (17a)-17-(Acetyloxy)-19-norpregna-1,3,5(10)-trien-20-yn-3-yl--D-Glucopyranosiduronic Acid Methyl Ester Triacetate

(17a)-17-(Acetyloxy)-19-norpregna-1,3,5(10)-trien-20-yn-3-yl--D-Glucopyranosiduronic Acid Methyl Ester Triacetate

(17a)-17-(Acetyloxy)-19-norpregna-1,3,5(10)-trien-20-yn-3-yl--D-Glucopyranosiduronic Acid Methyl Ester Triacetate structure

(17a)-17-(Acetyloxy)-19-norpregna-1,3,5(10)-trien-20-yn-3-yl--D-Glucopyranosiduronic Acid Methyl Ester Triacetate 

structure
  • CAS No:

    242130-33-2

  • Formula:

    C35H40O12

  • Chemical Name:

    (17a)-17-(Acetyloxy)-19-norpregna-1,3,5(10)-trien-20-yn-3-yl--D-Glucopyranosiduronic Acid Methyl Ester Triacetate

  • 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

Description

White Solid

(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

Characteristics

150

1.30±0.1 g/cm3(Predicted)

(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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