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3.beta.,7.beta.-Dimethoxy-cholest-5-ene

View entire compound with spectra: 1 NMR, and 1 FTIR

3.beta.,7.beta.-Dimethoxy-cholest-5-ene
SpectraBase Compound ID co5b52RNAB
InChI InChI=1S/C29H50O2/c1-19(2)9-8-10-20(3)23-11-12-24-27-25(14-16-29(23,24)5)28(4)15-13-22(30-6)17-21(28)18-26(27)31-7/h18-20,22-27H,8-17H2,1-7H3
InChIKey CKIKYSZMBVFBFY-UHFFFAOYSA-N
Mol Weight 430.7 g/mol
Molecular Formula C29H50O2
Exact Mass 430.381081 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IYS0Aq9DBIh
Name 3.beta.,7.beta.-Dimethoxy-cholest-5-ene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.381080848 u
Formula C29H50O2
InChI InChI=1S/C29H50O2/c1-19(2)9-8-10-20(3)23-11-12-24-27-25(14-16-29(23,24)5)28(4)15-13-22(30-6)17-21(28)18-26(27)31-7/h18-20,22-27H,8-17H2,1-7H3
InChIKey CKIKYSZMBVFBFY-UHFFFAOYSA-N
Molecular Weight 430.717 g/mol
SMILES C12(CCC(CC2=CC(C2C1CCC1(C2CCC1C(CCCC(C)C)C)C)OC)OC)C