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17-ALPHA-3-HYDROXYPROPYNE-ESTRADIOL
SpectraBase Compound ID 869tnL4VvbJ
InChI InChI=1S/C21H26O3/c1-20-10-7-17-16-6-4-15(23)13-14(16)3-5-18(17)19(20)8-11-21(20,24)9-2-12-22/h4,6,13,17-19,22-24H,3,5,7-8,10-12H2,1H3/t17-,18-,19+,20+,21+/m1/s1
InChIKey KPQSURCKSFDYIS-MJCUULBUSA-N
Mol Weight 326.44 g/mol
Molecular Formula C21H26O3
Exact Mass 326.188195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LGkCGgvoOX7
Name 17-ALPHA-3-HYDROXYPROPYNE-ESTRADIOL
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26O3
InChI InChI=1S/C21H26O3/c1-20-10-7-17-16-6-4-15(23)13-14(16)3-5-18(17)19(20)8-11-21(20,24)9-2-12-22/h4,6,13,17-19,22-24H,3,5,7-8,10-12H2,1H3/t17-,18-,19+,20+,21+/m1/s1
InChIKey KPQSURCKSFDYIS-MJCUULBUSA-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 326.436 g/mol
Source File Reference UWLU73945