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6-Pentylidene-4,5-secoandrostane-4,17.beta.-diol

View entire compound with spectra: 1 FTIR

6-Pentylidene-4,5-secoandrostane-4,17.beta.-diol
SpectraBase Compound ID HbfxVIXXx1V
InChI InChI=1S/C24H42O2/c1-4-5-6-9-18-16-19-20(23(2,17-18)13-7-8-15-25)12-14-24(3)21(19)10-11-22(24)26/h9,19-22,25-26H,4-8,10-17H2,1-3H3/b18-9+
InChIKey JHIVEGKMVARWDT-GIJQJNRQSA-N
Mol Weight 362.6 g/mol
Molecular Formula C24H42O2
Exact Mass 362.318481 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID opHAULFaAr
Name 6-Pentylidene-4,5-secoandrostane-4,17.beta.-diol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.318480590 u
Formula C24H42O2
InChI InChI=1S/C24H42O2/c1-4-5-6-9-18-16-19-20(23(2,17-18)13-7-8-15-25)12-14-24(3)21(19)10-11-22(24)26/h9,19-22,25-26H,4-8,10-17H2,1-3H3/b18-9+
InChIKey JHIVEGKMVARWDT-GIJQJNRQSA-N
Molecular Weight 362.598 g/mol
SMILES C(CCC1(C\C(CC2C1CCC1(C2CCC1O)C)=C\CCCC)C)CO
Spectrum/Structure Validation Score (Vapor Phase IR) 0.828315