5-beta-pregnane-3-alpha,20-beta-diol

Modify Date: 2025-09-17 21:43:25

5-beta-pregnane-3-alpha,20-beta-diol Structure
5-beta-pregnane-3-alpha,20-beta-diol structure
Common Name 5-beta-pregnane-3-alpha,20-beta-diol
CAS Number 80-91-1 Molecular Weight 320.50900
Density 1.053g/cm3 Boiling Point 435.9ºC at 760 mmHg
Molecular Formula C21H36O2 Melting Point N/A
MSDS N/A Flash Point 191ºC

 Names

Name (3α,5β,20R)-Pregnane-3,20-diol
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.053g/cm3
Boiling Point 435.9ºC at 760 mmHg
Molecular Formula C21H36O2
Molecular Weight 320.50900
Flash Point 191ºC
Exact Mass 320.27200
PSA 40.46000
LogP 4.38700
Index of Refraction 1.531
InChIKey YWYQTGBBEZQBGO-OQOYYRQQSA-N
SMILES CC(O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TU4157110
CHEMICAL NAME :
5-beta-Pregnane, 3-alpha,20-beta-dihydroxy-
CAS REGISTRY NUMBER :
80-91-1
LAST UPDATED :
199709
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C21-H36-O2
MOLECULAR WEIGHT :
320.57
WISWESSER LINE NOTATION :
L E5 B666TJ A1 E1 FYQ1 OQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
10 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - convulsions or effect on seizure threshold
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 11,117,1968

 Synonyms

5alpha-Pregnane-3alpha,20alpha-diol
5|A-Pregnane-3|A,20|A-diol
3|A,20|A-Dihydroxy-5|A-pregnane
Allopregnanediol
Allopregnane-3alpha,20alpha-diol
Allopregnane-3|A,20|A-diol
(3|A,5|A,20s)-pregnane-3,20-diol
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