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Tigogenin lactone acetate

View entire compound with spectra: 1 FTIR

Tigogenin lactone acetate
SpectraBase Compound ID EaWmZfOMPIW
InChI InChI=1S/C24H36O4/c1-13-21-20(28-22(13)26)12-19-17-6-5-15-11-16(27-14(2)25)7-9-23(15,3)18(17)8-10-24(19,21)4/h13,15-21H,5-12H2,1-4H3
InChIKey HUESGZPZXJYYMK-UHFFFAOYSA-N
Mol Weight 388.5 g/mol
Molecular Formula C24H36O4
Exact Mass 388.26136 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IhfX8vjDaKp
Name Tigogenin lactone acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.261359635 u
Formula C24H36O4
InChI InChI=1S/C24H36O4/c1-13-21-20(28-22(13)26)12-19-17-6-5-15-11-16(27-14(2)25)7-9-23(15,3)18(17)8-10-24(19,21)4/h13,15-21H,5-12H2,1-4H3
InChIKey HUESGZPZXJYYMK-UHFFFAOYSA-N
Molecular Weight 388.548 g/mol
SMILES C1(=O)C(C)C2C3(C)CCC4C5(C)CCC(OC(=O)C)CC5CCC4C3CC2O1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.980573