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17α-Ethynyl-3-methoxyestra-1,3,5(10)-trien-17β-ol

View entire compound with spectra: 5 NMR, 8 FTIR, 2 Raman, and 4 MS (GC)

17α-Ethynyl-3-methoxyestra-1,3,5(10)-trien-17β-ol
SpectraBase Compound ID 2MTGg3B8nSn
InChI InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1
InChIKey IMSSROKUHAOUJS-MJCUULBUSA-N
Mol Weight 310.44 g/mol
Molecular Formula C21H26O2
Exact Mass 310.19328 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID AdT3aJeT3Vu
Name Mestranol
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number 85587-1
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O2
InChI InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1
InChIKey IMSSROKUHAOUJS-MJCUULBUSA-N
Molecular Weight 310.437012
Synonyms 19-NORPREGNA-1,3,5/10/-TRIEN-20-YNE- 3,17-DIOL, 3-METHOXY-,
Technique KBr WAFER