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5.beta.-Coprostan-16,22-epoxy-3.alpha.,26-diol, 3-acetate

View entire compound with spectra: 1 NMR, and 1 FTIR

5.beta.-Coprostan-16,22-epoxy-3.alpha.,26-diol, 3-acetate
SpectraBase Compound ID 2185ErTMHNc
InChI InChI=1S/C29H48O4/c1-17(16-30)6-9-25-18(2)27-26(33-25)15-24-22-8-7-20-14-21(32-19(3)31)10-12-28(20,4)23(22)11-13-29(24,27)5/h17-18,20-27,30H,6-16H2,1-5H3
InChIKey REUCWNZILVOVIL-UHFFFAOYSA-N
Mol Weight 460.7 g/mol
Molecular Formula C29H48O4
Exact Mass 460.35526 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HaTV3veFJ2l
Name 5.beta.-Coprostan-16,22-epoxy-3.alpha.,26-diol, 3-acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-17(16-30)6-9-25-18(2)27-26(33-25)15-24-22-8-7-20-14-21(32-19(3)31)10-12-28(20,4)23(22)11-13-29(24,27)5/h17-18,20-27,30H,6-16H2,1-5H3
InChIKey REUCWNZILVOVIL-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C(C(CCC1C(C2C3(CCC4C5(CCC(CC5CCC4C3CC2O1)OC(=O)C)C)C)C)C)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.876907