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5a-Cholestane-3a,4a-diol

View entire compound with spectra: 4 NMR

5a-Cholestane-3a,4a-diol
SpectraBase Compound ID 20M90nMO7D6
InChI InChI=1S/C27H48O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h17-25,28-29H,6-16H2,1-5H3
InChIKey YIGWOKYLCVPSEG-UHFFFAOYSA-N
Mol Weight 404.7 g/mol
Molecular Formula C27H48O2
Exact Mass 404.365431 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BtSillXMfBt
Name 5a-Cholestane-3b,4a-diol
CAS Registry Number 20835-09-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H48O2
InChI InChI=1S/C27H48O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h17-25,28-29H,6-16H2,1-5H3
InChIKey YIGWOKYLCVPSEG-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference C.L. Van Antwerp, H. Eggert, C. Djerassi, J. Org. Chem. 42, 789 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3