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17-ALPHA-ACETYLENE-BENZENE-ESTRADIOL
SpectraBase Compound ID 8WAZHMxbFW5
InChI InChI=1S/C26H28O2/c1-25-14-12-22-21-10-8-20(27)17-19(21)7-9-23(22)24(25)13-16-26(25,28)15-11-18-5-3-2-4-6-18/h2-6,8,10,17,22-24,27-28H,7,9,12-14,16H2,1H3/t22-,23-,24+,25+,26+/m1/s1
InChIKey AJLVFMYGVRSQRI-JMTTVTNBSA-N
Mol Weight 372.51 g/mol
Molecular Formula C26H28O2
Exact Mass 372.20893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9EbLZJRcYnw
Name 17-ALPHA-ACETYLENE-BENZENE-ESTRADIOL
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H28O2
InChI InChI=1S/C26H28O2/c1-25-14-12-22-21-10-8-20(27)17-19(21)7-9-23(22)24(25)13-16-26(25,28)15-11-18-5-3-2-4-6-18/h2-6,8,10,17,22-24,27-28H,7,9,12-14,16H2,1H3/t22-,23-,24+,25+,26+/m1/s1
InChIKey AJLVFMYGVRSQRI-JMTTVTNBSA-N
Literature Reference Author P.DIONNE,D.POIRIER
Literature Reference Citation STEROIDS,60,830(1995)
Literature Reference DOI 10.1016/0039-128x(95)00147-i
Molecular Weight 372.507 g/mol
Source File Reference UWLU73954