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2H-Pyran, 2-[[(5.alpha.,17.beta.)-androstan-17-yl]oxy]tetrahydro-
SpectraBase Compound ID 2rpf7lsTaDa
InChI InChI=1S/C24H40O2/c1-23-14-5-3-7-17(23)9-10-18-19-11-12-21(24(19,2)15-13-20(18)23)26-22-8-4-6-16-25-22/h17-22H,3-16H2,1-2H3/t17-,18+,19+,20+,21+,22?,23+,24+/m1/s1
InChIKey RKSNMBDKKOLJON-ABMPYZKSSA-N
Mol Weight 360.6 g/mol
Molecular Formula C24H40O2
Exact Mass 360.302831 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HLgDfP2ZKGE
Name 2H-Pyran, 2-[[(5.alpha.,17.beta.)-androstan-17-yl]oxy]tetrahydro-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.302830526 u
Formula C24H40O2
InChI InChI=1S/C24H40O2/c1-23-14-5-3-7-17(23)9-10-18-19-11-12-21(24(19,2)15-13-20(18)23)26-22-8-4-6-16-25-22/h17-22H,3-16H2,1-2H3/t17-,18+,19+,20+,21+,22?,23+,24+/m1/s1
InChIKey RKSNMBDKKOLJON-ABMPYZKSSA-N
Molecular Weight 360.582 g/mol
SMILES C[C@]12[C@]([C@]3([C@](CC2)([C@]2(C)[C@@](CC3)(CCCC2)[H])[H])[H])(CC[C@@]1(OC1CCCCO1)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.851497