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Cholesta-5,17(20),24-trien-3-ol, acetate, (3.beta.)-

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

Cholesta-5,17(20),24-trien-3-ol, acetate, (3.beta.)-
SpectraBase Compound ID 2FRRJMoBV1s
InChI InChI=1S/C29H44O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8,10,23-24,26-27H,7,9,11-18H2,1-6H3/b25-20+
InChIKey RCMWXGUBNVVZGF-LKUDQCMESA-N
Mol Weight 424.7 g/mol
Molecular Formula C29H44O2
Exact Mass 424.334131 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3faDshwTHAW
Name Cholesta-5,17(20),24-trien-3-ol, acetate, (3.beta.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.334130655 u
Formula C29H44O2
InChI InChI=1S/C29H44O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8,10,23-24,26-27H,7,9,11-18H2,1-6H3/b25-20+
InChIKey RCMWXGUBNVVZGF-LKUDQCMESA-N
Molecular Weight 424.669 g/mol
SMILES C[C@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)\C(=C\(CCC=C(C)C)C)CC4)[H])(CC=C2C[C@](CC1)(OC(C)=O)[H])[H])[H]