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Coprostan-16,22-epoxy-3.beta.-ol benzoate

View entire compound with spectra: 1 NMR

Coprostan-16,22-epoxy-3.beta.-ol benzoate
SpectraBase Compound ID 5egaUdmkmag
InChI InChI=1S/C34H50O3/c1-21(2)11-14-29-22(3)31-30(37-29)20-28-26-13-12-24-19-25(36-32(35)23-9-7-6-8-10-23)15-17-33(24,4)27(26)16-18-34(28,31)5/h6-10,21-22,24-31H,11-20H2,1-5H3
InChIKey HCAISPCUDBQSIB-UHFFFAOYSA-N
Mol Weight 506.8 g/mol
Molecular Formula C34H50O3
Exact Mass 506.375995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JGkgx8rvDY9
Name Coprostan-16,22-epoxy-3.beta.-ol benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 506.375995467 u
Formula C34H50O3
InChI InChI=1S/C34H50O3/c1-21(2)11-14-29-22(3)31-30(37-29)20-28-26-13-12-24-19-25(36-32(35)23-9-7-6-8-10-23)15-17-33(24,4)27(26)16-18-34(28,31)5/h6-10,21-22,24-31H,11-20H2,1-5H3
InChIKey HCAISPCUDBQSIB-UHFFFAOYSA-N
Molecular Weight 506.771 g/mol
SMILES C1(CCC2(C(C1)CCC1C2CCC2(C1CC1C2C(C)C(O1)CCC(C)C)C)C)OC(=O)C1=CC=CC=C1