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Substance Name: 9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17,21-di(valerate)
RN: 38196-44-0
InChIKey: VPPBYLVCVQXCGD-LKKVRGJNSA-N

Molecular Formula

  • C32-H45-F-O7

Molecular Weight

  • 560.6985
 
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Names and Synonyms

Synonym

  • EINECS 253-820-8

Systematic Name

  • 9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17,21-di(valerate)

Registry Numbers

CAS Registry Number

  • 38196-44-0

System Generated Number

  • 0038196440

Structure Descriptors

InChI

1S/C32H45FO7/c1-6-8-10-27(37)39-19-26(36)32(40-28(38)11-9-7-2)20(3)16-24-23-13-12-21-17-22(34)14-15-29(21,4)31(23,33)25(35)18-30(24,32)5/h14-15,17,20,23-25,35H,6-13,16,18-19H2,1-5H3/t20-,23-,24-,25-,29-,30-,31-,32-/m0/s1

InChIKey

VPPBYLVCVQXCGD-LKKVRGJNSA-N

Smiles

CCCCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)OC(=O)CCCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 5.26 (none)   EXP
Water Solubility 0.030 mg/L 25 EST
Vapor Pressure 1.76E-15 mm Hg 25 EST
Henry's Law Constant 4.57E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.41E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.