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[3-ALPHA-(2)H]-3-BETA-HYDROXY-5-BETA-CHOLESTAN-6-ONE
SpectraBase Compound ID IVqvIEFdbyF
InChI InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20?,21?,22?,23?,24+,26-,27-/m1/s1
InChIKey JQMQKOQOLPGBBE-UIAKCFTASA-N
Mol Weight 402.7 g/mol
Molecular Formula C27H46O2
Exact Mass 402.349781 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4y2lZDF5f0G
Name [3-ALPHA-(2)H]-3-BETA-HYDROXY-5-BETA-CHOLESTAN-6-ONE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H46O2
InChI InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20?,21?,22?,23?,24+,26-,27-/m1/s1
InChIKey JQMQKOQOLPGBBE-UIAKCFTASA-N
Literature Reference Author R.HYODO,Y.FUJIMOTO
Literature Reference Citation PHYTOCHEM.,53,733(2000)
Literature Reference DOI 10.1016/S0031-9422(00)00018-2
Molecular Weight 402.661 g/mol
Solvent CDCl3
Source File Reference UWLU2131