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allopregnane-3beta,17alpha,20alpha-triol

allopregnane-3beta,17alpha,20alpha-triol structure

CAS No:
570-50-3
Formula:
C21H36O3
Chemical Name:
allopregnane-3beta,17alpha,20alpha-triol
Synonyms:
Allopregnane-3beta,17alpha,20alpha-triol;UNII-67910O30V9;5-ALPHA-PREGNAN-3-BETA,17,20-ALPHA-TRIOL;67910O30V9;520-86-5;Reichstein"s substance O;5alpha-Pregnane-3beta,17alpha,20alpha-triol;Allopregnane-3beta,17alpha,20alpha-triol [MI];Pregnane-3,17,20-triol, (3beta,5alpha,20S)-;SCHEMBL16226739

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allopregnane-3beta,17alpha,20alpha-triol Basic Attributes

Molecular Weight：

336.516

Exact Mass：

336.266

EC Number：

208-299-1

UNII：

67910O30V9

Characteristics

PSA：

60.7

XLogP3：

3.8

Melting Point：

222-223°

Specific rotation：

D20 -12.55° (c = 1.195 in methanol)

Computed Properties

Molecular Weight:336.5
XLogP3:3.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:336.26644501
Monoisotopic Mass:336.26644501
Topological Polar Surface Area:60.7
Heavy Atom Count:24
Complexity:507
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of allopregnane-3beta,17alpha,20alpha-triol

Basic Attributes
Characteristics
Computed Properties

allopregnane-3beta,17alpha,20alpha-triol

SDS

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