John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Fx9QpCiVrPa

(accessed ).
KITIGENIN=(25R)-5-BETA-SPIROSTAN-1-BETA,3-BETA,4-BETA,5-BETA-TETRAOL
SpectraBase Compound ID Fx9QpCiVrPa
InChI InChI=1S/C27H44O6/c1-14-5-10-27(32-13-14)15(2)22-20(33-27)11-18-16-6-9-26(31)23(30)19(28)12-21(29)25(26,4)17(16)7-8-24(18,22)3/h14-23,28-31H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19+,20+,21-,22+,23+,24+,25+,26+,27-/m1/s1
InChIKey FLDVFDQHJBXYFP-DFVVGJELSA-N
Mol Weight 464.6 g/mol
Molecular Formula C27H44O6
Exact Mass 464.313789 g/mol
Enantiomer InChIKey FLDVFDQHJBXYFP-MKZJTLGNSA-N
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent PYRIDINE-D5
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C5D5N
  • CONVALLAGENIN-B;(20S,22R,25S)-SPIROST-1-BETA,3-BETA,4-BETA,5-BETA-TETROL
Title Journal or Book Year
Carbon-13 nmr spectra of 5β-steroidal sapogenins. Reassignment of the F-ring carbon signals of (25)-spirostans Tetrahedron Letters 1981
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