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7.beta.-Hydroxydiosgenin

View entire compound with spectra: 1 FTIR

7.beta.-Hydroxydiosgenin
SpectraBase Compound ID JaFScltR4MI
InChI InChI=1S/C27H42O4/c1-15-5-10-27(30-14-15)16(2)24-22(31-27)13-20-23-19(7-9-26(20,24)4)25(3)8-6-18(28)11-17(25)12-21(23)29/h12,15-16,18-24,28-29H,5-11,13-14H2,1-4H3
InChIKey TWZIEWLIAZSJHV-UHFFFAOYSA-N
Mol Weight 430.6 g/mol
Molecular Formula C27H42O4
Exact Mass 430.30831 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID B6Bs9c6iU1y
Name 7.beta.-Hydroxydiosgenin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.308309828 u
Formula C27H42O4
InChI InChI=1S/C27H42O4/c1-15-5-10-27(30-14-15)16(2)24-22(31-27)13-20-23-19(7-9-26(20,24)4)25(3)8-6-18(28)11-17(25)12-21(23)29/h12,15-16,18-24,28-29H,5-11,13-14H2,1-4H3
InChIKey TWZIEWLIAZSJHV-UHFFFAOYSA-N
Molecular Weight 430.629 g/mol
SMILES C1(CCC2(C(C1)=CC(C1C2CCC2(C1CC1C2C(C)C2(OCC(CC2)C)O1)C)O)C)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.909185