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119302-19-1

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Basic Information
CAS No.: 119302-19-1
Name: (2a,3a,5a,16b,17b)-2,3-Epoxy-16-(1-pyrrolidinyl)androstan-17-ol
Article Data: 4
Molecular Structure:
Molecular Structure of 119302-19-1 ((2a,3a,5a,16b,17b)-2,3-Epoxy-16-(1-pyrrolidinyl)androstan-17-ol)
Formula: C23H37NO2
Molecular Weight: 359.552
Synonyms: 2,3-Epoxy-1H-cyclopenta[a]phenanthrene,androstan-17-ol deriv.;Androstan-17-ol,2,3-epoxy-16-(1-pyrrolidinyl)-, (2alpha,3alpha,5alpha,16beta,17beta)-;2alpha,3alpha-Epoxy-16beta-(1-pyrrolidinyl)-5alpha-androstan-17beta-ol;
EINECS: 601-593-4
Density: 1.144 g/cm3
Boiling Point: 469.613 °C at 760 mmHg
Flash Point: 237.814 °C
PSA: 36.00000
LogP: 3.77950
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Chemistry


Systematic Name: (2alpha,3alpha,5alpha,16beta,17beta)-16-Pyrrolidin-1-yl-2,3-epoxyandrostan-17-ol
SMILES: O[C@H]6[C@@H](N1CCCC1)C[C@H]5[C@H]4[C@@H]([C@@]3([C@H](C[C@@H]2O[C@@H]2C3)CC4)C)CC[C@@]56C
InChI: InChI=1/C23H37NO2/c1-22-8-7-16-15(6-5-14-11-19-20(26-19)13-23(14,16)2)17(22)12-18(21(22)25)24-9-3-4-10-24/h14-21,25H,3-13H2,1-2H3/t14-,15+,16-,17-,18-,19-,20+,21-,22-,23-/m0/s1
InChIKey: OPYVYACKKDTREB-NXECLLCEBG
Molecular Formula: C23H37NO2
Molecular Weight: 359.55
Product Categories: INTERMEDIATESOFROCURONIUMBROMIDE 
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 2
Index of Refraction: 1.569
Molar Refractivity: 103.07 cm3
Molar Volume: 314.3 cm3
Surface Tension: 45 dyne/cm
Density: 1.143 g/cm3
Flash Point: 237.8 °C
Enthalpy of Vaporization: 84.4 kJ/mol
Boiling Point: 469.6 °C at 760 mmHg
Vapour Pressure of 2alpha,3alpha-Epoxy-16beta-(1-pyrrolidinyl)-5alpha-androstan-17beta-ol (CAS NO.119302-19-1): 8.59E-11 mmHg at 25 °C

Specification

  2alpha,3alpha-Epoxy-16beta-(1-pyrrolidinyl)-5alpha-androstan-17beta-ol (CAS NO.119302-19-1), its Synonyms are (2alpha,3alpha,5alpha,16beta,17beta)-2,3-Epoxy-16-(1-pyrrolidinyl)androstan-17-ol ; Androstan-17-ol, 2,3-epoxy-16-(1-pyrrolidinyl) ; Androstan-17-dol,2,3:16,17-diepoxy-,acetate, (2alpha,3alpha,5alpha,16beta,17beta)—(9CI) .