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Spiro(3,17-diacetoxyandrostane)[2,2'](1',3'-dithiane)

View entire compound with spectra: 1 FTIR, and 3 MS (GC)

Spiro(3,17-diacetoxyandrostane)[2,2'](1',3'-dithiane)
SpectraBase Compound ID 69AmEP536kZ
InChI InChI=1S/C26H40O4S2/c1-16(27)29-22-9-8-20-19-7-6-18-14-23(30-17(2)28)26(31-12-5-13-32-26)15-25(18,4)21(19)10-11-24(20,22)3/h18-23H,5-15H2,1-4H3
InChIKey OUCXXYPKJMVXEF-UHFFFAOYSA-N
Mol Weight 480.7 g/mol
Molecular Formula C26H40O4S2
Exact Mass 480.236802 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FBpyG0Ayvp4
Name Spiro(3,17-diacetoxyandrostane)[2,2'](1',3'-dithiane)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 480.236802112 u
Formula C26H40O4S2
InChI InChI=1S/C26H40O4S2/c1-16(27)29-22-9-8-20-19-7-6-18-14-23(30-17(2)28)26(31-12-5-13-32-26)15-25(18,4)21(19)10-11-24(20,22)3/h18-23H,5-15H2,1-4H3
InChIKey OUCXXYPKJMVXEF-UHFFFAOYSA-N
Molecular Weight 480.722 g/mol
SMILES C12CC(OC(C)=O)C3(SCCCS3)CC1(C1C(CC2)C2CCC(C2(C)CC1)OC(=O)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970535