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Cas Database |
| Name |
16-Dehydropregnenolone |
EINECS | 214-602-8 |
| CAS No. | 1162-53-4 | Density | 1.11 g/cm3 |
| PSA | 37.30000 | LogP | 4.43540 |
| Solubility | N/A | Melting Point |
212-214 °C |
| Formula | C21H30 O2 | Boiling Point | 456.6 °C at 760 mmHg |
| Molecular Weight | 314.468 | Flash Point | 194.4 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | R20/22 | |
| Molecular Structure |
|
Hazard Symbols |
 Xn
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| 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 |
Article Data | 66 |
16-Dehydropregnenolone Chemical Properties
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 Specification
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- .
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