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Cholestan-3,26-diol diacetate

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

Cholestan-3,26-diol diacetate
SpectraBase Compound ID GwAzFCDQpTb
InChI InChI=1S/C31H52O4/c1-20(19-34-22(3)32)8-7-9-21(2)27-12-13-28-26-11-10-24-18-25(35-23(4)33)14-16-30(24,5)29(26)15-17-31(27,28)6/h20-21,24-29H,7-19H2,1-6H3
InChIKey SCQPTVTYFIJISW-UHFFFAOYSA-N
Mol Weight 488.8 g/mol
Molecular Formula C31H52O4
Exact Mass 488.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9M6Bj1mh9ms
Name Cholestan-3,26-diol diacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 488.386560150 u
Formula C31H52O4
InChI InChI=1S/C31H52O4/c1-20(19-34-22(3)32)8-7-9-21(2)27-12-13-28-26-11-10-24-18-25(35-23(4)33)14-16-30(24,5)29(26)15-17-31(27,28)6/h20-21,24-29H,7-19H2,1-6H3
InChIKey SCQPTVTYFIJISW-UHFFFAOYSA-N
Molecular Weight 488.753 g/mol
SMILES C1(CCC2(C(C1)CCC1C2CCC2(C1CCC2C(C)CCCC(COC(C)=O)C)C)C)OC(C)=O