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CAS No.: | 1162-53-4 |
---|---|
Name: | 16-Dehydropregnenolone |
Article Data: | 66 |
Molecular Structure: | |
Formula: | C21H30 O2 |
Molecular Weight: | 314.468 |
Synonyms: | Pregna-5,16-dien-20-one,3b-hydroxy- (6CI,8CI);(-)-Pregnadienolone; 16-Dehydropregnenolone; 16-Dehydropregnolone; 3b-Hydroxy-20-oxopregna-5,16-diene;3b-Hydroxy-D5,16-pregnadien-20-one; 3b-Hydroxypregna-5,16-dien-20-one;NSC 15467; Pregna-5,16-dien-3b-ol-20-one; Pregnadienolone; D16-Pregnenolone |
EINECS: | 214-602-8 |
Density: | 1.11 g/cm3 |
Melting Point: | 212-214 °C |
Boiling Point: | 456.6 °C at 760 mmHg |
Flash Point: | 194.4 °C |
Hazard Symbols: | Xn |
Risk Codes: | R20/22 |
PSA: | 37.30000 |
LogP: | 4.43540 |
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Molecular Formula: C21H30O2
Molar mass: 314.4617 g/mol
EINECS: 214-602-8
Density: 1.11 g/cm3
Flash Point: 194.4 °C
Index of Refraction: 1.565
Boiling Point: 456.6 °C at 760 mmHg
Vapour Pressure: 2.96E-10 mmHg at 25°C
Product categories of 16-Dehydropregnenolone (1162-53-4): Steroids
Structure of 16-Dehydropregnenolone (1162-53-4):
XLogP3-AA: 3.9
H-Bond Donor: 1
H-Bond Acceptor: 2
Systematic Name: 1-[(3S,8R,9S,10R,13S,14S)-3-Hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
SMILES: O=C(/C1=C/C[C@@H]2[C@@]1(CC[C@@H]3[C@@]4(C(=C/C[C@@H]23)\C[C@@H](O)CC4)C)C)C
InChI: InChI=1/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3/t15-,16-,18-,19-,20-,21+/m0/s1
InChIKey: YLFRRPUBVUAHSR-RRPFGEQOBR
Std. InChI: InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3/t15-,16-,18-,19-,20-,21+/m0/s1
Std. InChIKey: YLFRRPUBVUAHSR-RRPFGEQOSA-N
16-Dehydropregnenolone (1162-53-4) also can be called 16-Dehydropregnolone ; 3beta-Hydroxypregna-5,16-dien-20-one ; Pregna-5,16-dien-20-one, 3-hydroxy-, (3.beta.)- ; Pregna-5,16-dien-20-one, 3.beta.-hydroxy- .