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Name |
16,17-Epoxypregnenolone acetate |
EINECS | 251-883-6 |
CAS No. | 34209-81-9 | Density | 1.18 g/cm3 |
PSA | 55.90000 | LogP | 4.21740 |
Solubility | N/A | Melting Point |
159 °C |
Formula | C23H32O4 | Boiling Point | 469.5 °C at 760 mmHg |
Molecular Weight | 372.505 | Flash Point | 202.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Pregn-5-en-20-one,16a,17-epoxy-3b-hydroxy-, acetate (6CI,7CI,8CI);16a,17a-Epoxy-20-oxopregn-5-en-3b-yl acetate;16a,17a-Epoxypregnenolone acetate;3b-Acetoxy-16a,17-epoxypregn-5-en-20-one;3b-Acetoxy-16a,17-epoxypregnen-5-en-20-one;3b-Acetoxy-16a,17a-epoxypregn-5-en-20-one;3b-Acetoxy-16a,17a-epoxypregna-5-dien-20-one;3b-Hydroxy-16a,17a-oxidopregn-5-en-20-one acetate;NSC 21455; |
Article Data | 21 |
The 16,17-Epoxypregnenolone acetate, with CAS registry number 34209-81-9, belongs to the following product categories: (1)Biochemistry; (2)Steroids; (3)Steroids (Others). It has the systematic name of (3beta,16alpha)-20-oxo-16,17-epoxypregn-5-en-3-yl acetate. And this chemical should be stored at the temperature of −20°C.
Physical properties about this chemical are: (1)ACD/LogP: 4.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.07; (4)ACD/LogD (pH 7.4): 4.07; (5)ACD/BCF (pH 5.5): 734.77; (6)ACD/BCF (pH 7.4): 734.77; (7)ACD/KOC (pH 5.5): 3919.17; (8)ACD/KOC (pH 7.4): 3919.17; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.9 Å2; (13)Index of Refraction: 1.557; (14)Molar Refractivity: 101.64 cm3; (15)Molar Volume: 315.6 cm3; (16)Polarizability: 40.29×10-24cm3; (17)Surface Tension: 44.9 dyne/cm; (18)Enthalpy of Vaporization: 73.18 kJ/mol; (19)Vapour Pressure: 5.5E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)[C@]25O[C@@H]5C[C@H]1[C@H]3[C@H](CC[C@@]12C)[C@@]4(C(=C/C3)\C[C@@H](OC(=O)C)CC4)C
(2)InChI: InChI=1/C23H32O4/c1-13(24)23-20(27-23)12-19-17-6-5-15-11-16(26-14(2)25)7-9-21(15,3)18(17)8-10-22(19,23)4/h5,16-20H,6-12H2,1-4H3/t16-,17+,18-,19-,20+,21-,22-,23+/m0/s1
(3)InChIKey: YRLVTBXOGJMZNC-QHKUYLHMBG
(4)Std. InChI: InChI=1S/C23H32O4/c1-13(24)23-20(27-23)12-19-17-6-5-15-11-16(26-14(2)25)7-9-21(15,3)18(17)8-10-22(19,23)4/h5,16-20H,6-12H2,1-4H3/t16-,17+,18-,19-,20+,21-,22-,23+/m0/s1
(5)Std. InChIKey: YRLVTBXOGJMZNC-QHKUYLHMSA-N