ChemicalBook--->CAS DataBase List--->80-92-2

80-92-2

80-92-2 Structure

80-92-2 Structure
IdentificationBack Directory
[Name]

5BETA-PREGNANE-3ALPHA,20ALPHA-DIOL
[CAS]

80-92-2
[Synonyms]

THA
NSC 1612
NSC 47462
PREGNANDIOL
PREGNANEDIOL
(3α,5β),20S)-
Diol (6CI, 7CI)
pregnane-3,20-diol
5B-PREGNANE-3A,20A-DIOL
5BETA-PREGNAN-3A,20A-DIOL
TETRAHYDRO COMPOUND ''A''
5β-Pregnane-3α,20α-diol-d5
3a,20a-Dihydroxy-5pregnane
(20S)-5β-Pregnan-3α,20-diol
3a,20a-Dihydroxy-5b-pregnane
5b-Pregnane-3a,20a-diol (8CI)
5-Pregnane-3alpha,20alpha-diol
(3a,5),20S)-Pregnane-3,20-diol
5SS-PREGNANE-3ALPHA,20ALPHA-DIOL
(20S)-3α,20-Dihydroxy-5β-pregnane
5BETA-PREGNANE-3ALPHA,20ALPHA-DIOL
5$-Pregnane-3alpha,20alpha-diol,99%
3ALPHA,20ALPHA-Dihydroxy-5B-pregnane
5-BETA-PREGNAN-3-ALPHA, 20-ALPHA-DIOL
Pregnane-3,20-diol, (3a,5b,20S)- (9CI)
5BETA-PREGNANE-3ALPHA 20ALPHA-DIOL 98+%
3-alpha,20-alpha-dihydroxy-5-beta-pregnan
3-alpha,20-alpha-dihydroxy-5-beta-pregnane
Pregnane-3,20-diol, (3.alpha.,5.beta.,20S)-
(8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3-diol
[EINECS(EC#)]

201-313-7
[Molecular Formula]

C21H36O2
[MDL Number]

MFCD00064141
[MOL File]

80-92-2.mol
[Molecular Weight]

320.51
Chemical PropertiesBack Directory
[Appearance]

White Solid
[Melting point ]

240-242°C
[alpha ]

D20 +27.4° (c = 0.7 in alc)
[Boiling point ]

399.39°C (rough estimate)
[density ]

1.1500
[refractive index ]

27 ° (C=0.5, EtOH)
[storage temp. ]

-20°C Freezer
[solubility ]

Chloroform (Slightly), Ethanol (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

15.05±0.20(Predicted)
[color ]

White to Off-White
[Merck ]

7727
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

5β-Pregnane-3α,20α-diol is a metabolite of Progesterone (P755900).
[Uses]

Labelled 5β-Pregnane-3α,20α-diol, a metabolite of Progesterone (P755900).
[Uses]

Progesterone metabolite
[Definition]

ChEBI: Pregnanediol is a corticosteroid hormone. It is a tautomer of a 5beta-pregnane-3beta,20alpha-diol.
[IC 50]

Human Endogenous Metabolite
[storage]

Store at RT
[Purification Methods]

Crystallise the diol from acetone. The diacetate [1174-69-2] crystallises from pet ether with m 180o (also 182183o) and [] D 20 +35o (c 1.1, CHCl3). [Marian Biochem J 23 1090 1929, Fish et al. J Biol Chem 143 716 1942, Hieschmann J Biol Chem 140 797 1941, Johnson et al. J Chem Soc 1302 1954, Glick et al. J Org Chem 27 3121 1962, Beillstein 6 III 4778, 6 IV 6111.]
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P330-P501
[RTECS ]

TU4157113
Spectrum DetailBack Directory
[Spectrum Detail]

5BETA-PREGNANE-3ALPHA,20ALPHA-DIOL(80-92-2)1HNMR
5BETA-PREGNANE-3ALPHA,20ALPHA-DIOL(80-92-2)13CNMR
5BETA-PREGNANE-3ALPHA,20ALPHA-DIOL(80-92-2)IR1
5BETA-PREGNANE-3ALPHA,20ALPHA-DIOL(80-92-2)IR2
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