John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=3VV4IhPQF80 SpectraBase Spectrum ID=1j82uYk1SCx

(accessed ).
(25R)-2-BETA,3-BETA,5-ALPHA-TRIHYDROXYSPIROSTAN-6-ONE
SpectraBase Compound ID 3VV4IhPQF80
InChI InChI=1S/C27H42O6/c1-14-5-8-27(32-13-14)15(2)23-21(33-27)10-18-16-9-22(30)26(31)12-20(29)19(28)11-25(26,4)17(16)6-7-24(18,23)3/h14-21,23,28-29,31H,5-13H2,1-4H3/t14-,15?,16-,17+,18+,19+,20-,21+,23+,24+,25-,26+,27+/m1/s1
InChIKey XRTVQZVQFIZUBV-KLDRAOBGSA-N
Mol Weight 462.6 g/mol
Molecular Formula C27H42O6
Exact Mass 462.298139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1j82uYk1SCx
Name (25R)-2-BETA,3-BETA,5-ALPHA-TRIHYDROXYSPIROSTAN-6-ONE
Compound Number 4
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H42O6
InChI InChI=1S/C27H42O6/c1-14-5-8-27(32-13-14)15(2)23-21(33-27)10-18-16-9-22(30)26(31)12-20(29)19(28)11-25(26,4)17(16)6-7-24(18,23)3/h14-21,23,28-29,31H,5-13H2,1-4H3/t14-,15?,16-,17+,18+,19+,20-,21+,23+,24+,25-,26+,27+/m1/s1
InChIKey XRTVQZVQFIZUBV-KLDRAOBGSA-N
Literature Reference Author C.R.RODRIGUEZ,Y.I.VILLALOBOS,E.A.BECERRA,F.C.MANCHADO,D.C.HE RRERA,M.A.T.ZULLO
Literature Reference Citation J.BRAZ.CHEM.SOC.,14,466(2003)
Literature Reference DOI 10.1590/s0103-50532003000300022
Molecular Weight 462.627 g/mol
Solvent CDCl3
Source File Reference UWLU6947
SpectraBase Batch ID 1yvsPjDLPUQ