16-Dehydropregenolone Acetate

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Names

[ CAS No. ]:
979-02-2

[ Name ]:
16-Dehydropregenolone Acetate

[Synonym ]:
(3β)-20-Oxopregna-5,16-dien-3-yl acetate
Pregna-5,16-dien-20-one, 3- (acetyloxy)-, (3β)-
Pregna-5,16-dien-20-one, 3β-hydroxy-, acetate
3β-Acetyloxy-pregna-5,16-dien-20-one
MFCD00051130
3β-Acetoxypregna-5,16-dien-20-one
16-Dehydropregnenolone acetate
Pregna-5,16-dien-20-one, 3β-hydroxy-, acetate (8CI)
Pregna-5,16-dien-20-one, 3-(acetyloxy)-, (3β)-
EINECS 213-558-7

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
464.4±45.0 °C at 760 mmHg

[ Melting Point ]:
170-178ºC

[ Molecular Formula ]:
C23H32O3

[ Molecular Weight ]:
356.498

[ Flash Point ]:
200.1±28.8 °C

[ Exact Mass ]:
356.235138

[ PSA ]:
43.37000

[ LogP ]:
5.14

[ Vapour Pressure ]:
0.0±1.1 mmHg at 25°C

[ Index of Refraction ]:
1.547

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TU4156200
CHEMICAL NAME :
Pregna-5,16-dien-20-one, 3-(acetyloxy)-, (3-beta)-
CAS REGISTRY NUMBER :
979-02-2
BEILSTEIN REFERENCE NO. :
1026798
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C23-H32-O3
MOLECULAR WEIGHT :
356.55

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>8 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 18(2),32,1974
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>8 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 18(2),32,1974

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
26-37/39

[ RIDADR ]:
NONH for all modes of transport

[ RTECS ]:
TU4156200

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Ethanoic anhydride
  • Solasodine
  • furosta-5,20(22)-dien-3,26-diyl diacetate
  • 16,17-Epoxypregnenolone acetate
  • acetic acid
  • Pregn-5-en-20-one,3,17-bis(acetyloxy)-, (3b)-
  • (3β)-Androsta-5,16-diene-3,17-diol 3-Acetate 17-(Trifluoromethanesulfonate)
  • Ethoxyethene
  • (20E)-3beta-Hydroxypregna-5,16-dien-20-one 20-oxime 3-acetate
  • 16-alpha-chloro-20-oxopregn-5-en-3-beta-yl acetate

DownStream

  • 16-DEHYDROPREGNENOLONE OXIME
  • 16,17-Epoxypregnenolone acetate
  • 17a-Hydroxypregnenolone
  • Pregnenolone 16α-carbonitrile
  • Phosphonicacid, (3b-hydroxy-20-oxopregn-5-en-16-yl)-,monoethyl ester (8CI)
  • 3β-acetoxy-pregn-5-en-20-one
  • (20R)-pregnadiene-(5,16)-diol-(3β,20)
  • 3β-acetoxy-pregna-5,16-dien-20αF-ol
  • (3β,20S)-pregn-5-ene-3,20-diol
  • Alloepipregnanolone

Articles

[Acylhydrazones of 20-keto steroids and their transformations: I. Synthesis and properties of 1'-acyl-substituted 3'-methylandrosteno[16,17-d]pyrazolines].

Bioorg. Khim. 33(3) , 337-41, (2007)

Acetates of 3beta-hydroxy-3'-methyl-1'(N)-acylandrost-5-eno[16,17-d]pyrazolines bearing monothiooxamide acyl groups were synthesized during the study of approaches to the synthesis of 3'-methylandrost...

Pregna-D'-pentaranes - a new class of active gestagenes.

J. Steroid Biochem. 16(1) , 61-7, (1982)

A new class of modified progesterones with an additional ring in the 16 alpha , 17 alpha-position (pregna-D'-pentaranes) are described. Compounds containing 4- and 6-membered D'-ring (D'4- and D'6-pen...

Metabolism of steroid acetates by Streptomyces albus.

J. Steroid Biochem. 20(3) , 781-4, (1984)

Fermentation of 16-dehydropregnenolone acetate (1a) with Streptomyces albus yielded 16-dehydropregnenolone (1b) and 16-dehydroprogesterone (IIa). Similar incubation of pregnenolone acetate (Ic) with t...


More Articles

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