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Substance Name: 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 17-acetate
RN: 16463-74-4
InChIKey: HDEDWNHZBWFQCB-JZYPGELDSA-N

Molecular Formula

  • C23-H32-O6

Molecular Weight

  • 404.4998
 
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Names and Synonyms

Synonym

  • EINECS 240-510-2

Systematic Name

  • 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 17-acetate

Registry Numbers

CAS Registry Number

  • 16463-74-4

System Generated Number

  • 0016463744

Structure Descriptors

InChI

1S/C23H32O6/c1-13(25)29-23(19(28)12-24)9-7-17-16-5-4-14-10-15(26)6-8-21(14,2)20(16)18(27)11-22(17,23)3/h10,16-18,20,24,27H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1

InChIKey

HDEDWNHZBWFQCB-JZYPGELDSA-N

Smiles

CC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)CO

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.3 (none)   EXP
Water Solubility 31.2 mg/L 25 EST
Vapor Pressure 1.16E-13 mm Hg 25 EST
Henry's Law Constant 6.24E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.14E-10 cm3/molecule-sec 25 EST

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