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Temuconine

View entire compound with spectra: 1 NMR, and 2 MS (GC)

Temuconine
SpectraBase Compound ID 5SkFaZqkrG7
InChI InChI=1S/C37H42N2O6/c1-38-14-12-25-19-34(42-3)33(41)21-28(25)30(38)16-23-6-9-27(10-7-23)45-35-18-24(8-11-32(35)40)17-31-29-22-37(44-5)36(43-4)20-26(29)13-15-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/t30-,31+/m0/s1
InChIKey VMGXSDYPKKPINM-IOWSJCHKSA-N
Mol Weight 610.8 g/mol
Molecular Formula C37H42N2O6
Exact Mass 610.304287 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AGeQDrpbTtv
Name Temuconine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 610.304287074 u
Formula C37H42N2O6
InChI InChI=1S/C37H42N2O6/c1-38-14-12-25-19-34(42-3)33(41)21-28(25)30(38)16-23-6-9-27(10-7-23)45-35-18-24(8-11-32(35)40)17-31-29-22-37(44-5)36(43-4)20-26(29)13-15-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/t30-,31+/m0/s1
InChIKey VMGXSDYPKKPINM-IOWSJCHKSA-N
Molecular Weight 610.751 g/mol
SMILES C1=2[C@](N(C)CCC2C=C(C(=C1)OC)OC)(CC=1C=C(OC=2C=CC(C[C@]3(C4=C(C=C(C(=C4)O)OC)CCN3C)[H])=CC2)C(=CC1)O)[H]