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11,17,21-Trihydroxy-pregn-5-ene-3,20-dione3,20-DiethyleneKetal

11,17,21-Trihydroxy-pregn-5-ene-3,20-dione3,20-DiethyleneKetal structure

CAS No:
76338-54-0
Formula:
C25H38O7
Chemical Name:
11,17,21-Trihydroxy-pregn-5-ene-3,20-dione3,20-DiethyleneKetal
Synonyms:
11,17,21-Trihydroxy-pregn-5-ene-3,20-dione 3,20-Diethylene Ketal;FPKBNDCCFKYHDT-ZZXXDWPESA-N;Pregn-5-ene-3,20-dione, 11,17,21-trihydroxy-, cyclic bis(1,2-ethanediyl acetal), (11β)- (9CI)

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11,17,21-Trihydroxy-pregn-5-ene-3,20-dione3,20-DiethyleneKetal Basic Attributes

Molecular Weight：

450.57

Exact Mass：

450.26175355

Characteristics

Density：

1.32±0.1 g/cm3

Melting Point：

177-182 °C

Boiling Point：

614.6±55.0 °C(Predicted)

PKA：

14.52±0.70

11,17,21-Trihydroxy-pregn-5-ene-3,20-dione3,20-DiethyleneKetal Use and Manufacturing

Intermediate in the preparation of Cortisol derivatives.

Computed Properties

Molecular Weight:450.6
XLogP3:1.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:450.26175355
Monoisotopic Mass:450.26175355
Topological Polar Surface Area:97.6
Heavy Atom Count:32
Complexity:800
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 11,17,21-Trihydroxy-pregn-5-ene-3,20-dione3,20-DiethyleneKetal

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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