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3-BETA-ETHINYL-3-ALPHA-HYDROXY-5-BETA-CHOLEST-7-EN-6-ONE
SpectraBase Compound ID GevgjtzcNv
InChI InChI=1S/C29H44O2/c1-7-29(31)16-15-28(6)24-13-14-27(5)22(20(4)10-8-9-19(2)3)11-12-23(27)21(24)17-26(30)25(28)18-29/h1,17,19-20,22-25,31H,8-16,18H2,2-6H3/t20-,22-,23+,24+,25+,27-,28-,29-/m1/s1
InChIKey CLSMVOFGGKBBAP-WEJYEQBQSA-N
Mol Weight 424.7 g/mol
Molecular Formula C29H44O2
Exact Mass 424.334131 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1LMFvftxbU8
Name 3-BETA-ETHINYL-3-ALPHA-HYDROXY-5-BETA-CHOLEST-7-EN-6-ONE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H44O2
InChI InChI=1S/C29H44O2/c1-7-29(31)16-15-28(6)24-13-14-27(5)22(20(4)10-8-9-19(2)3)11-12-23(27)21(24)17-26(30)25(28)18-29/h1,17,19-20,22-25,31H,8-16,18H2,2-6H3/t20-,22-,23+,24+,25+,27-,28-,29-/m1/s1
InChIKey CLSMVOFGGKBBAP-WEJYEQBQSA-N
Literature Reference Author V.GUILHERME-DOLLE,C.HETRU,B.LUU
Literature Reference Citation BULL.SOC.CHIM.FR.,130,733(1993)
Molecular Weight 424.667 g/mol
Solvent PYRIDINE-D5
Source File Reference UWSK482