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ST075186 deoxycorticosterone acetate

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deoxycorticosterone acetate

56-47-3

MFCD03225550

2-((1S,10S,11S,14S,15S,2R)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0<2,7>.0<11,15> ]heptadec-6-en-14-yl)-2-oxoethyl acetate

ST075186 deoxycorticosterone acetate

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IDENTIFIER
IDNUMBERNAMECASMDL
ST075186deoxycorticosterone acetate56-47-3MFCD03225550
IUPACNAME
2-((1S,10S,11S,14S,15S,2R)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0<2,7>.0<11,15> ]heptadec-6-en-14-yl)-2-oxoethyl acetate
Smiles
C=12[C]([C@H]3(CC[C]4([C@H]([C@@H]3(CC2))(CC[C@@H]4C(COC(=O)C)=O))C))(CCC(=O)C1)C
INCHI
InChI=1S/C23H32O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h12,17-20H,4-11,13H2,1-3H3/t17-,18-,19-,20+,22-,23-/m0/s1
INCHIKEY
InChIKey=VPGRYOFKCNULNK-ACXQXYJUSA-N
Chem-Physical
FormulaMolecular WeightSALTAbsorption
C23H32O4372.51
LogPLogSLipinskyAcceptors
5.51-5.4444
DonorsRotation BondsChiral CentersN+O
0364
SOURCE
Occurs in adrenal cortex
REFERENCE
Merck 13, 2917