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Cholestan-3β,5α,6β-triol

View entire compound with spectra: 5 NMR, 1 FTIR, and 1 MS (GC)

Cholestan-3β,5α,6β-triol
SpectraBase Compound ID 6NDsLpGr6S8
InChI InChI=1S/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27+/m1/s1
InChIKey YMMFNKXZULYSOQ-RUXQDQFYSA-N
Mol Weight 420.7 g/mol
Molecular Formula C27H48O3
Exact Mass 420.360345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID COa8fLhz9gl
Name 5-ALPHA-CHOLESTANE-3-BETA,5,6-BETA-TRIOL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H48O3
InChI InChI=1S/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27+/m1/s1
InChIKey YMMFNKXZULYSOQ-RUXQDQFYSA-N
Literature Reference Author L.MINALE,C.PIZZA,R.RICCIO,O.S.GRECO,F.ZOLLO,J.PUSSET,J.L.MEN OU
Literature Reference Citation J.NAT.PROD.,47,784(1984)
Literature Reference DOI 10.1021/np50035a005
Molecular Weight 420.676 g/mol
Solvent PYRIDINE-D5
Source File Reference UWCS3297