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ST075179 cortisone 21-acetate

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cortisone 21-acetate

50-04-4

MFCD03548187

2-((1S,10S,11S,15S,2R,14R)-14-hydroxy-2,15-dimethyl-5,17-dioxotetracyclo[8.7.0 .0<2,7>.0<11,15>]heptadec-6-en-14-yl)-2-oxoethyl acetate

ST075179 cortisone 21-acetate

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IDENTIFIER
IDNUMBERNAMECASMDL
ST075179cortisone 21-acetate50-04-4MFCD03548187
IUPACNAME
2-((1S,10S,11S,15S,2R,14R)-14-hydroxy-2,15-dimethyl-5,17-dioxotetracyclo[8.7.0 .0<2,7>.0<11,15>]heptadec-6-en-14-yl)-2-oxoethyl acetate
Smiles
C1([C@@H]2([C]3(C(=CC(CC3)=O)CC[C@H]2([C@H]2([C]([C](C(COC(=O)C)=O)(CC2)O)(C1)C)))C))=O
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/h10,16-17,20,28H,4-9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1
INCHIKEY
InChIKey=ITRJWOMZKQRYTA-RFZYENFJSA-N
Chem-Physical
FormulaMolecular WeightSALTAbsorption
C23H30O6402.490.9
LogPLogSLipinskyAcceptors
2.17-4.4346
DonorsRotation BondsChiral CentersN+O
1466
SOURCE
adrenocorticotrophic hormone
REFERENCE