CAS No.34209-81-9,16,17-Epoxypregnenolone acetate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	34209-81-9
Name:	16,17-Epoxypregnenolone acetate
Article Data:	21

Formula:	C₂₃H₃₂O₄
Molecular Weight:	372.505
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;
EINECS:	251-883-6
Density:	1.18 g/cm³
Melting Point:	159 °C
Boiling Point:	469.5 °C at 760 mmHg
Flash Point:	202.5 °C
PSA:	55.90000
LogP:	4.21740

Total:34 Page 1 of 1 1

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Specification

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