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Spirost-5-en-3,17-diol

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Spirost-5-en-3,17-diol
SpectraBase Compound ID 7EF02DXNWjx
InChI InChI=1S/C27H42O4/c1-16-7-12-26(30-15-16)17(2)27(29)23(31-26)14-22-20-6-5-18-13-19(28)8-10-24(18,3)21(20)9-11-25(22,27)4/h5,16-17,19-23,28-29H,6-15H2,1-4H3
InChIKey SYYHBUHOUUETMI-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 8vBW4NsUPX9
Name Pennogenin
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/c1-16-7-12-26(30-15-16)17(2)27(29)23(31-26)14-22-20-6-5-18-13-19(28)8-10-24(18,3)21(20)9-11-25(22,27)4/h5,16-17,19-23,28-29H,6-15H2,1-4H3
InChIKey SYYHBUHOUUETMI-UHFFFAOYSA-N
Molecular Weight 430.629 g/mol
SMILES C1(CCC2(C(C1)=CCC1C2CCC2(C1CC1C2(C(C2(O1)OCC(CC2)C)C)O)C)C)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.896257