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Substance Name: Pregn-4-ene-3,20-dione, 11,17-dihydroxy-21-(4-methoxy-1,4-dioxobutoxy)-, (11beta)-
RN: 114593-86-1
InChIKey: HEJDDMXNBGPGQJ-GOTGGRCESA-N

Molecular Formula

  • C26-H36-O8

Molecular Weight

  • 478.5782
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 114593-86-1

System Generated Number

  • 0114593861

Structure Descriptors

InChI

1S/C26H38O8/c1-24-10-8-16(27)12-15(24)4-5-17-18-9-11-26(32,25(18,2)13-19(28)23(17)24)20(29)14-34-22(31)7-6-21(30)33-3/h12,17-20,23,28-29,32H,4-11,13-14H2,1-3H3/t17-,18-,19-,20?,23+,24-,25-,26-/m0/s1

InChIKey

HEJDDMXNBGPGQJ-GOTGGRCESA-N

Smiles

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(COC(=O)CCC(=O)OC)O)O)C)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.6 (none)   EXP
Water Solubility 6.090 mg/L 25 EST
Vapor Pressure 5.50E-15 mm Hg 25 EST
Henry's Law Constant 1.97E-14 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.