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Substance Name: Cortisol, 21-propionate
RN: 6677-98-1
InChIKey: MRECAIZOMKKXOZ-RPPPWEFESA-N

Molecular Formula

  • C24-H34-O6

Molecular Weight

  • 418.527
 
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Names and Synonyms

Results Name

  • Cortisol, 21-propionate

Synonyms

  • 11,17-Dihydroxy-21-(1-oxopropoxy)pregn-4-ene-3,20-dione (11beta)-
  • Cortisol, 21-propionate

Systematic Name

  • Pregn-4-ene-3,20-dione, 11,17-dihydroxy-21-(1-oxopropoxy)-, (11beta)-

Registry Numbers

CAS Registry Number

  • 6677-98-1

System Generated Number

  • 0006677981

Structure Descriptors

InChI

1S/C24H34O6/c1-4-20(28)30-13-19(27)24(29)10-8-17-16-6-5-14-11-15(25)7-9-22(14,2)21(16)18(26)12-23(17,24)3/h11,16-18,21,26,29H,4-10,12-13H2,1-3H3/t16-,17-,18-,21+,22-,23-,24-/m0/s1

InChIKey

MRECAIZOMKKXOZ-RPPPWEFESA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.8 (none)   EXP
Water Solubility 9.540 mg/L 25 EST
Vapor Pressure 9.39E-14 mm Hg 25 EST
Henry's Law Constant 8.28E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.13E-10 cm3/molecule-sec 25 EST

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