Basic information
- Name:
16-Dehydropregnenolone acetate
- CAS No.:
979-02-2
- Molecular Structure:
- Formula:
- C23H32O3
- Molecular Weight:
- 356.50
- Synonyms:
- 20-oxopregna-5,16-dien-3-β-yl acetate;16-Denyprasterone Acetate;16-Denyprasterone Acetate(16-DPA);16-Dehydropregnenolone Acetate(16-DPA);16 Dehydropregneninolone, Acetate;Pregna-5,16-dien-20-one, 3- (acetyloxy)-, (3.beta.)-;20-Oxopregna-5, 16-dien-3.beta.-yl acetate;Dehydropregnenolone acetate;Pregna-5,16-dien-20-one, 3-beta-hydroxy-, acetate;Pregna-5,16-dien-20-one, 3beta-hydroxy-, acetate (8CI);4-08-00-01125 (Beilstein Handbook Reference);16,17-Didehydropregnenolone acetate;3.beta.-Acetoxypregna-5,16-dien-20-one;20-Oxopregna-5,16-dien-3-beta-yl acetate;(3-beta)-3-(Acetyloxy)pregna-5,16-dien-20-one;Pregna-5,16-dien-20-one, 3.beta.-hydroxy-, acetate;
- EINECS:
- 213-558-7
- Density:
- 1.11g/cm3
- Melting Point:
- 170-178 °C
- Boiling Point:
- 464.4 °C at 760mmHg
- Flash Point:
- 200.1 °C
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-37/39 Details
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Chemistry
Molecular Structure of 16-Dehydropregnenolone acetate (CAS NO.979-02-2):
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IUPAC Name: [(3S,8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Empirical Formula: C23H32O3
Molecular Weight: 356.4984
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 43.37 Å2
Index of Refraction: 1.546
Molar Refractivity: 101.63 cm3
Molar Volume: 320.5 cm3
Surface Tension: 42 dyne/cm
Density: 1.11 g/cm3
Flash Point: 200.1 °C
Enthalpy of Vaporization: 72.58 kJ/mol
Boiling Point: 464.4 °C at 760 mmHg
Vapour Pressure: 8.38E-09 mmHg at 25°C
Melting point: 170-178°C
InChI
InChI=1/C23H32O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,7,17-18,20-21H,6,8-13H2,1-4H3/t17-,18-,20-,21-,22-,23+/m0/s1
Smiles
O=C(C)C1=CC[C@@H]2[C@@]1(CC[C@@H]1[C@@]3(CC[C@H](OC(=O)C)CC3=CC[C@@H]21)C)C
EINECS: 213-558-7
Product Categories: Steroids
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | > 8gm/kg (8000mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(2), Pg. 32, 1974. | |
| mouse | LD50 | oral | > 8gm/kg (8000mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(2), Pg. 32, 1974. |
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
RTECS: TU4156200
Specification
16-Dehydropregnenolone acetate , with CAS number of 979-02-2, can be called Pregna-5,16-dien-20-one, 3-beta-hydroxy-, acetate ; Dehydropregnenolone acetate ; 3beta-Acetoxypregna-5,16-dien-20-one ; 20-Oxopregna-5,16-dien-3beta-yl acetate ; 16-Dehydropregnenolone acetate ; 16,17-Didehydropregnenolone acetate ; (3-beta)-3-(Acetyloxy)pregna-5,16-dien-20-one .
