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Chol-23-ene, (5.beta.)-

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Chol-23-ene, (5.beta.)-
SpectraBase Compound ID IIvQ9tNGM1M
InChI InChI=1S/C24H40/c1-5-8-17(2)20-12-13-21-19-11-10-18-9-6-7-15-23(18,3)22(19)14-16-24(20,21)4/h5,17-22H,1,6-16H2,2-4H3
InChIKey UKVFUEBRZQZUSZ-UHFFFAOYSA-N
Mol Weight 328.6 g/mol
Molecular Formula C24H40
Exact Mass 328.313001 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4QP4etAU9rR
Name Chol-23-ene, (5.beta.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.313001288 u
Formula C24H40
InChI InChI=1S/C24H40/c1-5-8-17(2)20-12-13-21-19-11-10-18-9-6-7-15-23(18,3)22(19)14-16-24(20,21)4/h5,17-22H,1,6-16H2,2-4H3
InChIKey UKVFUEBRZQZUSZ-UHFFFAOYSA-N
Molecular Weight 328.584 g/mol
SMILES C[C@]12[C@]([C@]3([C@](CC2)([C@]2(C)[C@](CC3)(CCCC2)[H])[H])[H])(CC[C@@]1([C@@](CC=C)(C)[H])[H])[H]