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(9β,11β,16β)-21-(Acetyloxy)-9,11-epoxy-17-hydroxy-16-methylpregna-1,4-diene-3,20-dione

(9β,11β,16β)-21-(Acetyloxy)-9,11-epoxy-17-hydroxy-16-methylpregna-1,4-diene-3,20-dione structure

CAS No:
912-38-9
Formula:
C24H30O6
Chemical Name:
(9β,11β,16β)-21-(Acetyloxy)-9,11-epoxy-17-hydroxy-16-methylpregna-1,4-diene-3,20-dione
Synonyms:
Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-9,11-epoxy-17-hydroxy-16-methyl-,(9β,11β,16β)-;9β-Pregna-1,4-diene-3,20-dione,9,11β-epoxy-17,21-dihydroxy-16β-methyl-,21-acetate;(9β,11β,16β)-21-(Acetyloxy)-9,11-epoxy-17-hydroxy-16-methylpregna-1,4-diene-3,20-dione
Categories:
Biochemical Engineering > Amino Acids and Proteins

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Description

White Solid

(9β,11β,16β)-21-(Acetyloxy)-9,11-epoxy-17-hydroxy-16-methylpregna-1,4-diene-3,20-dione Basic Attributes

Molecular Weight：

414.4914

Exact Mass：

414.49

EC Number：

213-012-8

UNII：

Q4RBW718KS

HScode：

2937290000

Characteristics

PSA：

93.20000

XLogP3：

2.53490

Density：

1.29g/cm3

Melting Point：

225-228 °C @ Solvent: Acetone, Diethyl ether

Boiling Point：

575.1ºC at 760mmHg

Flash Point：

195.8ºC

Refractive Index：

1.591

Safety Information

Precautionary statement(s)：

P260, P314, P501

Hazard Statements：

H373

GHS Classification：

|Warning|H373 (100%): Causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]|P260, P314, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory.

(9β,11β,16β)-21-(Acetyloxy)-9,11-epoxy-17-hydroxy-16-methylpregna-1,4-diene-3,20-dione Use and Manufacturing

Methods of Manufacturing

Available 16α, 17α epoxypregnant-4-ene-3, 11, 20-trione (ie 16α, 17α-epoxy-11-keto progesterone), and ethylene glycol (ketone at 3, 20-position Group) ketalization, reduction (11-keto group), elimination [formation of 9(11) double bond], (methyl magnesium bromide on epoxy group) addition, hydrolysis (formation of 17α-hydroxyl group, removal of ethylenedioxide Alcohol), elimination (dehydrogenation to form a 1-position double bond), (21-position) iodination, (21-position iodine with acetoxy) substitution, [9(11)-double bond hypobromous acid] addition And epoxidized the product.

Uses

Intermediate in the production of Betamethasone

Computed Properties

Molecular Weight:414.5
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:414.20423867
Monoisotopic Mass:414.20423867
Topological Polar Surface Area:93.2
Heavy Atom Count:30
Complexity:919
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Progesterone

Recommended Suppliers of (9β,11β,16β)-21-(Acetyloxy)-9,11-epoxy-17-hydroxy-16-methylpregna-1,4-diene-3,20-dione

Shaanxi Dideu Medichem Co. Ltd Contact Supplier

CN
4 YRS

Business licensed Certified factory

Manufactory Supplier of Chemical Pesticides,Food Additives,Agrochemicals,Active Pharm Ingredients,Flavors and Fragrances,Chemical Catalyst,Chemical Materials,Chem&Pharm Intermediates,Organic Intermediates,Feed Additive

9,11β-Epoxy-17-hydroxy-16β-methyl-3,20-dioxo-9β-pregna-1,4-diene-21-ylAcetate

CAS No.: 912-38-9

Grade: Industrial Grade

Content: 99%

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Guide of (9β,11β,16β)-21-(Acetyloxy)-9,11-epoxy-17-hydroxy-16-methylpregna-1,4-diene-3,20-dione

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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(9β,11β,16β)-21-(Acetyloxy)-9,11-epoxy-17-hydroxy-16-methylpregna-1,4-diene-3,20-dione

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