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ST075202 prednisolone 21-acetate

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prednisolone 21-acetate

52-21-1

MFCD03225474

2-((1S,10S,11S,15S,17S,2R,14R)-14,17-dihydroxy-2,15-dimethyl-5-oxotetracyclo[8 .7.0.0<2,7>.0<11,15>]heptadeca-3,6-dien-14-yl)-2-oxoethyl acetate

ST075202 prednisolone 21-acetate

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IDENTIFIER
IDNUMBERNAMECASMDL
ST075202prednisolone 21-acetate52-21-1MFCD03225474
IUPACNAME
2-((1S,10S,11S,15S,17S,2R,14R)-14,17-dihydroxy-2,15-dimethyl-5-oxotetracyclo[8 .7.0.0<2,7>.0<11,15>]heptadeca-3,6-dien-14-yl)-2-oxoethyl acetate
Smiles
C=12[C]([C@H]3([C@H](C[C]4([C](C(COC(=O)C)=O)(CC[C@@H]4([C@@H]3(CC2)))O)C)O))(C=CC(=O)C1)C
INCHI
InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1
INCHIKEY
InChIKey=LRJOMUJRLNCICJ-JZYPGELDSA-N
Chem-Physical
FormulaMolecular WeightSALTAbsorption
C23H30O6402.490.88
LogPLogSLipinskyAcceptors
3.03-4.6346
DonorsRotation BondsChiral CentersN+O
2476
SOURCE
Glucocorticoid
REFERENCE
Merck 13, 7805