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Substance Name: Pregn-4-ene-3,20-dione, 11,17-dihydroxy-21-((6-hydroxy-1-oxohexyl)oxy)-, (11beta)-
RN: 114593-88-3
InChIKey: YUFRCVRCAXAMAD-YJEIGABGSA-N
Molecular Formula
- C27-H40-O7
Molecular Weight
- 476.606
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Names and Synonyms
- Pregn-4-ene-3,20-dione, 11,17-dihydroxy-21-((6-hydroxy-1-oxohexyl)oxy)-, (11beta)-
Registry Numbers
CAS Registry Number
- 114593-88-3
System Generated Number
- 0114593883
Structure Descriptors
InChI
1S/C27H40O7/c1-25-11-9-18(29)14-17(25)7-8-19-20-10-12-27(33,26(20,2)15-21(30)24(19)25)22(31)16-34-23(32)6-4-3-5-13-28/h14,19-21,24,28,30,33H,3-13,15-16H2,1-2H3/t19?,20-,21-,24+,25-,26-,27-/m0/s1InChIKey
YUFRCVRCAXAMAD-YJEIGABGSA-NSmiles
C1=2CC[C@@H]3[C@@H]([C@@]1(CCC(=O)Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
log P (octanol-water) | 2.79 | (none) | EXP | |
Water Solubility | 4.190 | mg/L | 25 | EST |
Vapor Pressure | 2.40E-17 | mm Hg | 25 | EST |
Henry's Law Constant | 7.09E-13 | atm-m3/mole | 25 | EST |
Atmospheric OH Rate Constant | 1.22E-10 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.