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Tetrahydropseudodiosgenin diacetate

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

Tetrahydropseudodiosgenin diacetate
SpectraBase Compound ID 3wZqNf3OAfa
InChI InChI=1S/C31H50O5/c1-18(17-34-20(3)32)7-10-27-19(2)29-28(36-27)16-26-24-9-8-22-15-23(35-21(4)33)11-13-30(22,5)25(24)12-14-31(26,29)6/h18-19,22-29H,7-17H2,1-6H3
InChIKey GGWGQPIUMWZBBV-UHFFFAOYSA-N
Mol Weight 502.7 g/mol
Molecular Formula C31H50O5
Exact Mass 502.365825 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F17EDV2nIzG
Name Tetrahydropseudodiosgenin diacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 502.365824705 u
Formula C31H50O5
InChI InChI=1S/C31H50O5/c1-18(17-34-20(3)32)7-10-27-19(2)29-28(36-27)16-26-24-9-8-22-15-23(35-21(4)33)11-13-30(22,5)25(24)12-14-31(26,29)6/h18-19,22-29H,7-17H2,1-6H3
InChIKey GGWGQPIUMWZBBV-UHFFFAOYSA-N
Molecular Weight 502.736 g/mol
SMILES C(OC(C)=O)C(CCC1C(C2C3(CCC4C5(CCC(CC5CCC4C3CC2O1)OC(=O)C)C)C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.975497