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Cholestane-3b,5a,6b-triol

View entire compound with spectra: 5 NMR, and 7 MS (GC)

Cholestane-3b,5a,6b-triol
SpectraBase Compound ID 4bY1zTWTcE4
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
InChIKey YMMFNKXZULYSOQ-UHFFFAOYSA-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 ByTPgbwuzDq
Name Cholestane-3b,5a,6b-triol
CAS Registry Number 2701-11-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
InChIKey YMMFNKXZULYSOQ-UHFFFAOYSA-N
Literature Reference J.W. Blunt, J.B. Stothers, Org. Magn. Resonance 9, 439 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Pyridine