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12-BETA-HYDROXY-SAMOGENIN;5-BETA-(25R)-SPIROSTAN-2-BETA,3-BETA,12-BETA-TRIOL
SpectraBase Compound ID 9qXlItpxWcw
InChI InChI=1S/C27H44O5/c1-14-7-8-27(31-13-14)15(2)24-22(32-27)10-19-17-6-5-16-9-20(28)21(29)12-25(16,3)18(17)11-23(30)26(19,24)4/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 IZSOKVKTMKUCGT-JUZCAABNSA-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 CH0OIAEZVZj
Name 12-BETA-HYDROXY-SAMOGENIN;5-BETA-(25R)-SPIROSTAN-2-BETA,3-BETA,12-BETA-TRIOL
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H44O5
InChI InChI=1S/C27H44O5/c1-14-7-8-27(31-13-14)15(2)24-22(32-27)10-19-17-6-5-16-9-20(28)21(29)12-25(16,3)18(17)11-23(30)26(19,24)4/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 IZSOKVKTMKUCGT-JUZCAABNSA-N
Literature Reference Author K.NAKANO,Y.HARA,K.MURAKAMI,Y.TAKAISHI,T.TOMIMATSU
Literature Reference Citation PHYTOCHEM.,30,1993(1991)
Literature Reference DOI 10.1016/0031-9422(91)85054-4
Molecular Weight 448.643 g/mol
Solvent C5D5N
Source File Reference UWLU27651