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Methyl 3-hydroxycholest-5-en-26-oate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Methyl 3-hydroxycholest-5-en-26-oate
SpectraBase Compound ID 94uCui9nsyD
InChI InChI=1S/C28H46O3/c1-18(7-6-8-19(2)26(30)31-5)23-11-12-24-22-10-9-20-17-21(29)13-15-27(20,3)25(22)14-16-28(23,24)4/h9,18-19,21-25,29H,6-8,10-17H2,1-5H3
InChIKey RVFZGHXHOQRLSD-UHFFFAOYSA-N
Mol Weight 430.7 g/mol
Molecular Formula C28H46O3
Exact Mass 430.344695 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EeUcvLhRKa3
Name Methyl 3-hydroxycholest-5-en-26-oate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.344695338 u
Formula C28H46O3
InChI InChI=1S/C28H46O3/c1-18(7-6-8-19(2)26(30)31-5)23-11-12-24-22-10-9-20-17-21(29)13-15-27(20,3)25(22)14-16-28(23,24)4/h9,18-19,21-25,29H,6-8,10-17H2,1-5H3
InChIKey RVFZGHXHOQRLSD-UHFFFAOYSA-N
Molecular Weight 430.673 g/mol
SMILES C1(CCC2(C(C1)=CCC1C3C(CCC21)(C(C(CCCC(C(OC)=O)C)C)CC3)C)C)O