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NEOTOKOROGENIN=(25S)-5-BETA-SPIROSTAN-1-BETA,2-BETA,3-ALPHA-TRIOL
SpectraBase Compound ID JOiSDLc2WI8
InChI InChI=1S/C27H44O5/c1-14-7-10-27(31-13-14)15(2)22-21(32-27)12-19-17-6-5-16-11-20(28)23(29)24(30)26(16,4)18(17)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-/m1/s1
InChIKey SRTGQBIWSBCVSM-RXWDRLOESA-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 4BT48A46oVp
Name NEOTOKOROGENIN=(25S)-5-BETA-SPIROSTAN-1-BETA,2-BETA,3-ALPHA-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)12-19-17-6-5-16-11-20(28)23(29)24(30)26(16,4)18(17)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-/m1/s1
InChIKey SRTGQBIWSBCVSM-RXWDRLOESA-N
Literature Reference Author A.UOMORI,S.SEO,K.TORI,Y.TOMITA
Literature Reference Citation PHYTOCHEM.,22,203(1983)
Literature Reference DOI 10.1016/S0031-9422(00)80089-8
Molecular Weight 448.643 g/mol
Solvent PYRIDINE-D5
Source File Reference UNIW17104