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(16α)-21-(Acetyloxy)-16,17-dihydroxypregna-1,4,9(11)-triene-3,20-dione

(16α)-21-(Acetyloxy)-16,17-dihydroxypregna-1,4,9(11)-triene-3,20-dione structure

CAS No:
77017-20-0
Formula:
C23H28O6
Chemical Name:
(16α)-21-(Acetyloxy)-16,17-dihydroxypregna-1,4,9(11)-triene-3,20-dione
Synonyms:
Pregna-1,4,9(11)-triene-3,20-dione,21-(acetyloxy)-16,17-dihydroxy-,(16α)-;Pregna-1,4,9(11)-triene-3,20-dione,16α,17,21-trihydroxy-,21-acetate;(16α)-21-(Acetyloxy)-16,17-dihydroxypregna-1,4,9(11)-triene-3,20-dione;(16a)-21-Acetyloxy-16,17-dihydroxy-pregna-1,4,9(11)-triene-3,20-dione

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(16α)-21-(Acetyloxy)-16,17-dihydroxypregna-1,4,9(11)-triene-3,20-dione Basic Attributes

Molecular Weight：

400.46482

Exact Mass：

400.46

EC Number：

278-593-2

Characteristics

PSA：

101

XLogP3：

2.04850

Density：

1.312g/cm3

Melting Point：

213-215 °C @ Solvent: Acetone, Ligroine

Boiling Point：

576.748ºC at 760 mmHg

Flash Point：

198.046ºC

Refractive Index：

1.603

Safety Information

Precautionary statement(s)：

P201, P202, P261, P264, P271, P273, P280, P281, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P201, P202, P261, P264, P271, P273, P280, P281, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

(16α)-21-(Acetyloxy)-16,17-dihydroxypregna-1,4,9(11)-triene-3,20-dione Use and Manufacturing

Intermediate in the preparation of antiinflammatory compounds.

Computed Properties

Molecular Weight:400.5
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:400.18858861
Monoisotopic Mass:400.18858861
Topological Polar Surface Area:101
Heavy Atom Count:29
Complexity:882
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (16α)-21-(Acetyloxy)-16,17-dihydroxypregna-1,4,9(11)-triene-3,20-dione

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

(16α)-21-(Acetyloxy)-16,17-dihydroxypregna-1,4,9(11)-triene-3,20-dione

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