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Basic Information
CAS No.: 86401-80-1
Name: 16alpha-Hydroxyprednisonlone acetate
Molecular Structure:
Molecular Structure of 86401-80-1 (16alpha-Hydroxyprednisonlone acetate)
Formula: C23H30 O7
Molecular Weight: 418.487
Synonyms: Pregna-1,4-diene-3,20-dione,11b,16a,17,21-tetrahydroxy-, 21-acetate (7CI); 16a-Hydroxyprednisolone acetate
EINECS: 812-027-2
Density: 1.34
Boiling Point: 593.3oC at 760 mmHg
Flash Point: 202.5oC
PSA: 121.13000
LogP: 1.09920
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  • 16-Alpha-Hydroxyprednisonlone Acetate

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    16-Alpha-Hydroxyprednisonlone Acetate

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    16alpha-Hydroxyprednisonlone acetate

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    16alpha-Hydroxy-prednisolone acetate 86401-80-1

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  • 16a- hydroxy prednisolone acetate CAS No.86401-80-1

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    86401-80-1

    16a- hydroxy prednisolone acetate CAS No.86401-80-1

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Chemistry

Molecular Structure of 16alpha-Hydroxyprednisonlone acetate (CAS No.86401-80-1):

Molecular Formula: C23H30O7
Molecular Weight: 418.49
CAS No: 86401-80-1
H bond acceptors: 7
H bond donors: 4
Freely Rotating Bonds: 5
Polar Surface Area: 80.29 Å2
Index of Refraction: 1.629
Molar Refractivity: 107.59 cm3
Molar Volume: 302.7 cm3
Surface Tension: 68.9 dyne/cm
Density: 1.38 g/cm3
Flash Point: 202.5 °C
Enthalpy of Vaporization: 93.03 kJ/mol
Boiling Point: 593.3 °C at 760 mmHg
Vapour Pressure: 6.35E-15 mmHg at 25°C
Systematic Name: (2R,2'R,6'S,7'R,8a'S)-6-Formyl-4,6',7'-trihydroxy-2',5',5',8a'-tetramethyl-3',4',4a',5',6',7',8',8a'-octahydro-2'H,3H-spiro[1-benzofuran-2,1'-naphthalene]-7-carboxylic acid
Product Categories: Pharmaceutical Raw Materials 
InChI: InChI=1/C23H30O7/c1-11-5-6-16-21(2,3)19(27)15(26)9-22(16,4)23(11)8-13-14(25)7-12(10-24)17(20(28)29)18(13)30-23/h7,10-11,15-16,19,25-27H,5-6,8-9H2,1-4H3,(H,28,29)/t11-,15-,16?,19-,22+,23-/m1/s1
InChIKey: XGUFMAUYGBDFJS-PTRLVYDZBJ

Specification

16alpha-Hydroxyprednisonlone acetate (CAS No.86401-80-1), it also can be called 11beta,16alpha,17,21-Tetrahydroxy-pregna-1,4-diene-3,20-dione 21-acetate  .