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(11β)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione

(11β)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione structure

CAS No:
3044-42-6
Formula:
C23H28O5
Chemical Name:
(11β)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione
Synonyms:
Pregna-1,4,16-triene-3,20-dione,21-(acetyloxy)-11-hydroxy-,(11β)-;Pregna-1,4,16-triene-3,20-dione,11β,21-dihydroxy-,21-acetate;(11β)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione;21-Acetoxy-11β-hydroxypregna-1,4,16-triene-3,20-dione;11β,21-Dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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(11β)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione Basic Attributes

Molecular Weight：

384.46542

Exact Mass：

384.47

EC Number：

221-250-9

Characteristics

PSA：

80.7

XLogP3：

2.7

Density：

1.24±0.1 g/cm3(Predicted)

Melting Point：

208-209 °C

Boiling Point：

553.4ºC at 760mmHg

Flash Point：

189.9ºC

Refractive Index：

1.584

Safety Information

Precautionary statement(s)：

P201, P202, P281, P308+P313, P405, P501

Hazard Statements：

H361

GHS Classification：

|Warning|H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]|P201, P202, P273, P281, P308+P313, P405, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:384.5
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:384.19367399
Monoisotopic Mass:384.19367399
Topological Polar Surface Area:80.7
Heavy Atom Count:28
Complexity:834
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (11β)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

(11β)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione

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