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ST075190 estradiol benzoate

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estradiol benzoate

50-50-0

MFCD03548267

(1S,11S,14S,15S,10R)-14-hydroxy-15-methyltetracyclo[8.7.0.0<2,7>.0<11,15>]hept adeca-2,4,6-trien-5-yl benzoate

ST075190 estradiol benzoate

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IDENTIFIER
IDNUMBERNAMECASMDL
ST075190estradiol benzoate50-50-0MFCD03548267
IUPACNAME
(1S,11S,14S,15S,10R)-14-hydroxy-15-methyltetracyclo[8.7.0.0<2,7>.0<11,15>]hept adeca-2,4,6-trien-5-yl benzoate
Smiles
c12[C@H]3(CC[C]4([C@H]([C@@H]3(CCc1cc(OC(=O)c1ccccc1)cc2))(CC[C@@H]4O))C)
INCHI
InChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m1/s1
INCHIKEY
InChIKey=UYIFTLBWAOGQBI-BZDYCCQFSA-N
Chem-Physical
FormulaMolecular WeightSALTAbsorption
C25H28O3376.51
LogPLogSLipinskyAcceptors
8.13-6.2133
DonorsRotation BondsChiral CentersN+O
1253
SOURCE
Estrogen
REFERENCE
Merck 13, 3738