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Coprost-25-en-16,22-epoxy-3.alpha.-ol

View entire compound with spectra: 1 NMR, and 1 FTIR

Coprost-25-en-16,22-epoxy-3.alpha.-ol
SpectraBase Compound ID 4c5fomDHdf6
InChI InChI=1S/C27H44O2/c1-16(2)6-9-23-17(3)25-24(29-23)15-22-20-8-7-18-14-19(28)10-12-26(18,4)21(20)11-13-27(22,25)5/h17-25,28H,1,6-15H2,2-5H3
InChIKey RIHTTXWSHXXWTB-UHFFFAOYSA-N
Mol Weight 400.6 g/mol
Molecular Formula C27H44O2
Exact Mass 400.334131 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CoeD2ogaAN0
Name Coprost-25-en-16,22-epoxy-3.alpha.-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.334130655 u
Formula C27H44O2
InChI InChI=1S/C27H44O2/c1-16(2)6-9-23-17(3)25-24(29-23)15-22-20-8-7-18-14-19(28)10-12-26(18,4)21(20)11-13-27(22,25)5/h17-25,28H,1,6-15H2,2-5H3
InChIKey RIHTTXWSHXXWTB-UHFFFAOYSA-N
Molecular Weight 400.647 g/mol
SMILES C1(CCC2(C(C1)CCC1C2CCC2(C1CC1C2C(C)C(CCC(C)=C)O1)C)C)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953053