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Substance Name: Pregn-4-ene-3,20-dione, 11,17-dihydroxy-21-((7-methoxy-1,7-dioxoheptyl)oxy)-, (11beta)-
RN: 114611-36-8
InChIKey: CVUYUYYPZDAVKE-UHFFFAOYSA-N

Molecular Formulas

  • C28-H38-O8
  • C29-H42-O8

Molecular Weight

  • 502.6
 
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Names and Synonyms

  • Pregn-4-ene-3,20-dione, 11,17-dihydroxy-21-((7-methoxy-1,7-dioxoheptyl)oxy)-, (11beta)-

Registry Numbers

CAS Registry Number

  • 114611-36-8

System Generated Number

  • 0114611368

Structure Descriptors

InChI

1S/C28H38O8/c1-26-12-10-18(29)14-17(26)8-9-19-20-11-13-27(28(20,36-27)15-21(30)25(19)26)22(31)16-35-24(33)7-5-3-4-6-23(32)34-2/h14,19-21,25,30H,3-13,15-16H2,1-2H3

InChIKey

CVUYUYYPZDAVKE-UHFFFAOYSA-N

Smiles

C1C[C@@]2([C@@H]3[C@@H](C[C@@]45O[C@@]4(CC[C@@H]5[C@@H]3CCC2=CC1=O)C(=O)COC(=O)CCCCCC(=O)OC)O)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.7 (none)   EXP
Water Solubility 0.376 mg/L 25 EST
Vapor Pressure 2.58E-16 mm Hg 25 EST
Henry's Law Constant 4.61E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.18E-10 cm3/molecule-sec 25 EST

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