(11β)-11,17-Dihydroxy-21-[(1-oxopentyl)oxy]pregna-1,4-diene-3,20-dione
CAS Registry Number®
39791-31-6
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CAS Name
(11β)-11,17-Dihydroxy-21-[(1-oxopentyl)oxy]pregna-1,4-diene-3,20-dioneMolecular Formula
C26H36O6Molecular Mass
444.56Cite this Page
(11β)-11,17-Dihydroxy-21-[(1-oxopentyl)oxy]pregna-1,4-diene-3,20-dione. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=39791-31-6 (retrieved ) (CAS RN: 39791-31-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
206-208 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C26H36O6/c1-4-5-6-22(30)32-15-21(29)26(31)12-10-19-18-8-7-16-13-17(27)9-11-24(16,2)23(18)20(28)14-25(19,26)3/h9,11,13,18-20,23,28,31H,4-8,10,12,14-15H2,1-3H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1
InChIKey
InChIKey=XOWYKRJPTXTGHW-FZNHGJLXSA-N
SMILES
C[C@@]12[C@]([C@]3([C@]([C@@H](O)C1)([C@]4(C)C(CC3)=CC(=O)C=C4)[H])[H])(CC[C@@]2(C(COC(CCCC)=O)=O)O)[H]
Canonical SMILES
O=C1C=CC2(C(=C1)CCC3C4CCC(O)(C(=O)COC(=O)CCCC)C4(C)CC(O)C32)C
Other Names for this Substance
- Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-21-[(1-oxopentyl)oxy]-, (11β)-
- Pregna-1,4-diene-3,20-dione, 11β,17,21-trihydroxy-, 21-valerate
- (11β)-11,17-Dihydroxy-21-[(1-oxopentyl)oxy]pregna-1,4-diene-3,20-dione
- Prednisolone 21-valerate