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17β-Estradiol 3-benzoate

View entire compound with spectra: 4 NMR, 6 FTIR, 1 Raman, and 1 MS (GC)

17β-Estradiol 3-benzoate
SpectraBase Compound ID 16KRFAQv8f
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 UYIFTLBWAOGQBI-BZDYCCQFSA-N
Mol Weight 376.5 g/mol
Molecular Formula C25H28O3
Exact Mass 376.203845 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 6M1U9M7xgK0
Name 17β-Estradiol 3-benzoate
Source of Sample Sigma Chemical Company, St. Louis, Missouri
CAS Registry Number 50-50-0
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28O3
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 UYIFTLBWAOGQBI-BZDYCCQFSA-N
Molecular Weight 376.496002
Synonyms PROGYNON BENZOATE 17B-ESTRADIOL, 3-BENZOATE ESTRA-1,3,5/10/-TRIENE-3,17B-DIOL, 3-BENZOATE ESTRADIOL, 3-BENZOATE
Technique FILM (CAST FROM CHCl3)