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Ilicicolin B, ac derivative

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

Ilicicolin B, ac derivative
SpectraBase Compound ID 8a9KHkM0XKC
InChI InChI=1S/C25H34O4/c1-17(2)9-7-10-18(3)11-8-12-19(4)13-14-22-24(29-21(6)27)15-20(5)23(16-26)25(22)28/h9,11,13,15-16,28H,7-8,10,12,14H2,1-6H3/b18-11+,19-13+
InChIKey VIOYKNDONNBKCS-NWLVNBMCSA-N
Mol Weight 398.5 g/mol
Molecular Formula C25H34O4
Exact Mass 398.24571 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CePrGb1mq9k
Name Ilicicolin B, ac derivative
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.245709571 u
Formula C25H34O4
InChI InChI=1S/C25H34O4/c1-17(2)9-7-10-18(3)11-8-12-19(4)13-14-22-24(29-21(6)27)15-20(5)23(16-26)25(22)28/h9,11,13,15-16,28H,7-8,10,12,14H2,1-6H3/b18-11+,19-13+
InChIKey VIOYKNDONNBKCS-NWLVNBMCSA-N
Molecular Weight 398.543 g/mol
SMILES C(C1=C(C)C=C(OC(C)=O)C(=C1O)C\C=C/(C)CC\C=C/(C)CCC=C(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.857728