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18000-89-0

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Basic Information
CAS No.: 18000-89-0
Name: 17-(2-methyl-1,3-dioxolan-2-yl)androstan-3-ol
Article Data: 11
Molecular Structure:
Molecular Structure of 18000-89-0 (17-(2-methyl-1,3-dioxolan-2-yl)androstan-3-ol)
Formula: C23H38O3
Molecular Weight: 362.553
Synonyms: 5β-Pregnan-20-one, 3α-hydroxy-, cyclic ethylene acetal(7CI,8CI);NSC 85996;
Density: 1.085 g/cm3
Boiling Point: 456.7 °C at 760 mmHg
Flash Point: 230 °C
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Specification

This chemical is called Pregnan-20-one,3-hydroxy-, cyclic 1,2-ethanediyl acetal, (3α,5β)- (9CI), and its systematic name is (3α,5β,17β)-17-(2-Methyl-1,3-dioxolan-2-yl)androstan-3-ol. With the molecular formula of C23H38O3, its molecular weight is 362.55. The CAS registry number of the chemical is 18000-89-0. 

Other characteristics of Pregnan-20-one,3-hydroxy-, cyclic 1,2-ethanediyl acetal, (3α,5β)- (9CI) can be summarised as followings: (1)ACD/LogP: 5.36; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 27.69 Å2; (7)Index of Refraction: 1.529; (8)Molar Refractivity: 103.06 cm3; (9)Molar Volume: 333.9 cm3; (10)Polarizability: 40.85×10-24cm3; (11)Surface Tension: 43.4 dyne/cm; (12)Density: 1.085 g/cm3; (13)Flash Point: 230 °C; (14)Enthalpy of Vaporization: 82.67 kJ/mol; (15)Boiling Point: 456.7 °C at 760 mmHg; (16)Vapour Pressure: 2.92E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O1C(OCC1)([C@@H]2[C@@]4([C@@H](CC2)[C@@H]5CC[C@@H]3C[C@H](O)CC[C@]3(C)[C@H]5CC4)C)C
2.InChI: InChI=1/C23H38O3/c1-21-10-8-16(24)14-15(21)4-5-17-18-6-7-20(23(3)25-12-13-26-23)22(18,2)11-9-19(17)21/h15-20,24H,4-14H2,1-3H3/t15-,16-,17+,18+,19+,20+,21+,22+/m1/s1
3.InChIKey: OAWOATRDZLDNDV-ITZNTROMBK
4.Std. InChI: InChI=1S/C23H38O3/c1-21-10-8-16(24)14-15(21)4-5-17-18-6-7-20(23(3)25-12-13-26-23)22(18,2)11-9-19(17)21/h15-20,24H,4-14H2,1-3H3/t15-,16-,17+,18+,19+,20+,21+,22+/m1/s1
5.Std. InChIKey: OAWOATRDZLDNDV-ITZNTROMSA-N