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allopregnane-3beta,17alpha,20beta,21-tetrol

allopregnane-3beta,17alpha,20beta,21-tetrol structure

CAS No:
566-41-6
Formula:
C21H36O4
Chemical Name:
allopregnane-3beta,17alpha,20beta,21-tetrol
Synonyms:
allopregnane-3beta,17alpha,20beta,21-tetrol;UNII-6Q677A4341;6Q677A4341;Reichstein"s substance K;5alpha-Pregnane-3beta,17,20beta,21-tetrol;Allopregnane-3beta,17alpha,20beta,21-tetrol [MI];Pregnane-3,17,20,21-tetrol, (3beta,5alpha,20R)-;Q27265324;(3S,5S,8R,9S,10S,13S,14S,17R)-17-[(1R)-1,2-dihydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol

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allopregnane-3beta,17alpha,20beta,21-tetrol Basic Attributes

Molecular Weight：

352.515

Exact Mass：

352.261

UNII：

6Q677A4341

Characteristics

PSA：

80.9

XLogP3：

3.3

Density：

1.186±0.06 g/cm3(Predicted)

Melting Point：

198-200°

Specific rotation：

D21 -1.0° (c = 1 in abs ethanol)

Computed Properties

Molecular Weight:352.5
XLogP3:3.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:352.26135963
Monoisotopic Mass:352.26135963
Topological Polar Surface Area:80.9
Heavy Atom Count:25
Complexity:524
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of allopregnane-3beta,17alpha,20beta,21-tetrol

Basic Attributes
Characteristics
Computed Properties

allopregnane-3beta,17alpha,20beta,21-tetrol

SDS

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