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NEOTIGOGENIN=(25S)-5-ALPHA-SPIROSTAN-3-BETA-OL
SpectraBase Compound ID 9z4yZYT91H8
InChI InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1
InChIKey GMBQZIIUCVWOCD-PUHUBZITSA-N
Mol Weight 416.6 g/mol
Molecular Formula C27H44O3
Exact Mass 416.329045 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G7vCiWkNc8a
Name NEOTIGOGENIN=(25S)-5-ALPHA-SPIROSTAN-3-BETA-OL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H44O3
InChI InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1
InChIKey GMBQZIIUCVWOCD-PUHUBZITSA-N
Literature Reference Author K.TORI,S.SEO,Y.TERUI,J.NISHIKAWA,F.YASUDA
Literature Reference Citation TETRAH.LETT.,22,2405(1981)
Literature Reference DOI 10.1016/S0040-4039(01)82920-8
Molecular Weight 416.645 g/mol
Solvent PYRIDINE-D5
Source File Reference UNIW17012