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3,4-SECOCHOLEST-4-ENE-3,6-ALPHA-DIOL

View entire compound with spectra: 1 NMR

3,4-SECOCHOLEST-4-ENE-3,6-ALPHA-DIOL
SpectraBase Compound ID BmCmFF3Mc4G
InChI InChI=1S/C27H48O2/c1-18(2)9-7-10-19(3)22-11-12-23-21-17-25(29)20(4)26(5,14-8-16-28)24(21)13-15-27(22,23)6/h18-19,21-25,28-29H,4,7-17H2,1-3,5-6H3
InChIKey VZIUAHPEDHMXIM-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 IOcOVDChbVs
Name 3,4-SECOCHOLEST-4-ENE-3,6-ALPHA-DIOL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H48O2
InChI InChI=1S/C27H48O2/c1-18(2)9-7-10-19(3)22-11-12-23-21-17-25(29)20(4)26(5,14-8-16-28)24(21)13-15-27(22,23)6/h18-19,21-25,28-29H,4,7-17H2,1-3,5-6H3
InChIKey VZIUAHPEDHMXIM-UHFFFAOYSA-N
Literature Reference Author H.L.HOLLAND,S.R.KHAN
Literature Reference Citation CAN.J.CHEM.,63,2763(1985)
Literature Reference DOI 10.1139/v85-460
Molecular Weight 404.677 g/mol
Solvent CDCl3
Source File Reference UWED2402