17-B-Estradiol Benzoate
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Product Description
Product
17-B-Estradiol Benzoate
CAS
50-50-0
Formula
C25H28O3
Synonym
Estra-1,3,5(10)-triene-3,17-diol (17ß)-, 3-benzoate; Estradiol, 3-benzoate; ß-Estradiol benzoate; ß-Estradiol 3-benzoate; Benovocylin; Benzhormovarine; Benzo-Gynoestryl; Benzoestrofol; Benzofoline; De Graafina; Diffollisterol; Difolliculine; Dimenformon b
Typical Product Specifications
Molecular weight
376.49
EINECS
200-043-7
SMILES
C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)c5ccccc5)ccc34)[C@@H]1CC[C@@H]2O
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+/m0/s1
InChIKey
UYIFTLBWAOGQBI-PPWDSJTCSA-N
Melting Point
196 ° C
log P (octanol-water)
5.470
Atmospheric OH Rate Constant
3.07E-11 cm3/molecule-sec
Melting Point
191-198 °C
Merck
3703
Class
17-B-Estradiol Benzoate
Product Description
Product
17-B-Estradiol Benzoate
CAS
50-50-0
Formula
C25H28O3
Synonym
Estra-1,3,5(10)-triene-3,17-diol (17ß)-, 3-benzoate; Estradiol, 3-benzoate; ß-Estradiol benzoate; ß-Estradiol 3-benzoate; Benovocylin; Benzhormovarine; Benzo-Gynoestryl; Benzoestrofol; Benzofoline; De Graafina; Diffollisterol; Difolliculine; Dimenformon b
Typical Product Specifications
Molecular weight
376.49
EINECS
200-043-7
SMILES
C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)c5ccccc5)ccc34)[C@@H]1CC[C@@H]2O
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+/m0/s1
InChIKey
UYIFTLBWAOGQBI-PPWDSJTCSA-N
Melting Point
196 ° C
log P (octanol-water)
5.470
Atmospheric OH Rate Constant
3.07E-11 cm3/molecule-sec
Melting Point
191-198 °C
Merck
3703
Class
