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DIOTIGENIN=(25S)-5-BETA-SPIROSTAN-2-BETA,3-ALPHA,4-BETA-TRIOL

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DIOTIGENIN=(25S)-5-BETA-SPIROSTAN-2-BETA,3-ALPHA,4-BETA-TRIOL
SpectraBase Compound ID 49ROANQc7U4
InChI InChI=1S/C27H44O5/c1-14-7-10-27(31-13-14)15(2)22-21(32-27)11-19-16-5-6-18-23(29)24(30)20(28)12-26(18,4)17(16)8-9-25(19,22)3/h14-24,28-30H,5-13H2,1-4H3/t14-,15-,16+,17-,18+,19-,20-,21-,22-,23+,24+,25-,26+,27+/m0/s1
InChIKey LLBKWFWTEWVDKM-FZOSFLJOSA-N
Mol Weight 448.6 g/mol
Molecular Formula C27H44O5
Exact Mass 448.318875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LUxm60llRId
Name DIOTIGENIN=(25S)-5-BETA-SPIROSTAN-2-BETA,3-ALPHA,4-BETA-TRIOL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H44O5
InChI InChI=1S/C27H44O5/c1-14-7-10-27(31-13-14)15(2)22-21(32-27)11-19-16-5-6-18-23(29)24(30)20(28)12-26(18,4)17(16)8-9-25(19,22)3/h14-24,28-30H,5-13H2,1-4H3/t14-,15-,16+,17-,18+,19-,20-,21-,22-,23+,24+,25-,26+,27+/m0/s1
InChIKey LLBKWFWTEWVDKM-FZOSFLJOSA-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 448.643 g/mol
Solvent PYRIDINE-D5
Source File Reference UNIW17167