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(25S)-1-BETA,3-BETA,7-BETA-TRIHYDROXY-5-ALPHA-SPIROSTAN-12-ONE
SpectraBase Compound ID Jyq1gcFk82L
InChI InChI=1S/C27H42O6/c1-13-5-6-27(32-12-13)14(2)24-20(33-27)10-17-23-18(11-22(31)26(17,24)4)25(3)15(8-19(23)29)7-16(28)9-21(25)30/h13-21,23-24,28-30H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18-,19-,20-,21+,23-,24-,25-,26+,27+/m0/s1
InChIKey GKLQUISYBKOPTI-DUCMMUMZSA-N
Mol Weight 462.6 g/mol
Molecular Formula C27H42O6
Exact Mass 462.298139 g/mol
Enantiomer InChIKey GKLQUISYBKOPTI-LBYUICSHSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
  • 1.beta.,7.beta.-Dihydroxyhecogenin
  • (25R)-1-BETA,3-BETA,7-BETA-TRIHYDROXY-5-ALPHA-SPIROSTAN-12-ONE
Title Journal or Book Year
NMR spectroscopy of steroidal sapogenins and steroidal saponins: An update Magnetic Resonance in Chemistry 1995
1β,7β-Dihydroxyhecogenin, a spirostane produced from hecogenin by Cunninghamella elegans Phytochemistry 1983

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