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Urariamicin-I

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

Urariamicin-I
SpectraBase Compound ID 90k93XpI5P8
InChI InChI=1S/C37H68O5/c1-3-4-5-6-7-8-9-10-14-17-20-23-26-33(38)35-28-29-36(42-35)34(39)27-24-21-18-15-12-11-13-16-19-22-25-32-30-31(2)41-37(32)40/h30-31,33-36,38-39H,3-29H2,1-2H3
InChIKey UXILAQXAZFVOFT-UHFFFAOYSA-N
Mol Weight 592.9 g/mol
Molecular Formula C37H68O5
Exact Mass 592.506675 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7wsA3THXYM0
Name Urariamicin-I
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 592.506675285 u
Formula C37H68O5
InChI InChI=1S/C37H68O5/c1-3-4-5-6-7-8-9-10-14-17-20-23-26-33(38)35-28-29-36(42-35)34(39)27-24-21-18-15-12-11-13-16-19-22-25-32-30-31(2)41-37(32)40/h30-31,33-36,38-39H,3-29H2,1-2H3
InChIKey UXILAQXAZFVOFT-UHFFFAOYSA-N
Molecular Weight 592.946 g/mol
SMILES C1(C(=CC(O1)C)CCCCCCCCCCCCC(C1OC(C(O)CCCCCCCCCCCCCC)CC1)O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.809451