Molecular Structure of 19-Nortestosterone 17-hemisuccinate (CAS No.6785-62-2):
Molecular Formula: C22H30O5
Molecular Weight: 374.4706
CAS No: 6785-62-2
IUPAC Name: 4-[[(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy]-
4-oxobutanoic acid
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 5
Polar Surface Area: 69.67 Å2
Index of Refraction: 1.56
Molar Refractivity: 98.95 cm3
Molar Volume: 305.6 cm3
Surface Tension: 50.8 dyne/cm
Density: 1.22 g/cm3
Flash Point: 193.4 °C
Enthalpy of Vaporization: 91.98 kJ/mol
Boiling Point: 559.1 °C at 760 mmHg
Vapour Pressure: 5.73E-14 mmHg at 25°C
InChI: InChI=1/C22H30O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h12,15-19H,2-11H2,1H3,(H,24,25)/t15-,16+,17+,18-,19-,22-/m0/s1
InChIKey: IRQUJNVGEAJGSD-WUOGMODZBY
Std. InChI: InChI=1S/C22H30O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h12,15-19H,2-11H2,1H3,(H,24,25)/t15-,16+,17+,18-,19-,22-/m0/s1
Std. InChIKey: IRQUJNVGEAJGSD-WUOGMODZSA-N
19-Nortestosterone 17-hemisuccinate (CAS No.6785-62-2), its synonyms are 17Beta-hydroxyestr-4-en-3-one 17-(3-carboxypropionate);Succinic acid hydrogen 1-(3-oxoestr-4-en-17β-yl) ester .
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