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25-Hydroxycholesterol 3-acetate

View entire compound with spectra: 1 NMR

25-Hydroxycholesterol 3-acetate
SpectraBase Compound ID Ev6uHoP8wEO
InChI InChI=1S/C29H48O3/c1-19(8-7-15-27(3,4)31)24-11-12-25-23-10-9-21-18-22(32-20(2)30)13-16-28(21,5)26(23)14-17-29(24,25)6/h9,19,22-26,31H,7-8,10-18H2,1-6H3
InChIKey DSBZSDSUGSYUHV-UHFFFAOYSA-N
Mol Weight 444.7 g/mol
Molecular Formula C29H48O3
Exact Mass 444.360345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LAEDOcQx5q0
Name 25-Hydroxycholesterol 3-acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.360345403 u
Formula C29H48O3
InChI InChI=1S/C29H48O3/c1-19(8-7-15-27(3,4)31)24-11-12-25-23-10-9-21-18-22(32-20(2)30)13-16-28(21,5)26(23)14-17-29(24,25)6/h9,19,22-26,31H,7-8,10-18H2,1-6H3
InChIKey DSBZSDSUGSYUHV-UHFFFAOYSA-N
Molecular Weight 444.700 g/mol
SMILES [C@@]12(C(C3CC=C4[C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)CC[C@@]1([C@@](CCCC(O)(C)C)(C)[H])[H])C