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ASITRILOBIN-C

View entire compound with spectra: 1 NMR

ASITRILOBIN-C
SpectraBase Compound ID 9l0o9fyi1Pn
InChI InChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-14-17-20-23-33(40)35-24-25-36(44-35)34(41)28-32(39)22-19-16-13-11-10-12-15-18-21-31(38)27-30-26-29(2)43-37(30)42/h26,29,31-36,38-41H,3-25,27-28H2,1-2H3/t29-,31+,32-,33+,34+,35+,36+/m0/s1
InChIKey BCBLVYJIKUTOHM-UXXGTDFTSA-N
Mol Weight 624.9 g/mol
Molecular Formula C37H68O7
Exact Mass 624.496505 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 67n8ctwM9Tx
Name ASITRILOBIN-C
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H68O7
InChI InChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-14-17-20-23-33(40)35-24-25-36(44-35)34(41)28-32(39)22-19-16-13-11-10-12-15-18-21-31(38)27-30-26-29(2)43-37(30)42/h26,29,31-36,38-41H,3-25,27-28H2,1-2H3/t29-,31+,32-,33+,34+,35+,36+/m0/s1
InChIKey BCBLVYJIKUTOHM-UXXGTDFTSA-N
Literature Reference Author M.H.WOO,S.O.CHUNG,D.H.KIM
Literature Reference Citation BIOORG.MED.CHEM.,8,285(2000)
Literature Reference DOI 10.1016/S0968-0896(99)00277-1
Molecular Weight 624.943 g/mol
Solvent CDCl3
Source File Reference UWVN20091