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Chenabinol

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

Chenabinol
SpectraBase Compound ID 46NzTk1ebim
InChI InChI=1S/C37H42N2O7/c1-38-14-12-26-19-35(43-4)37(44-5)36(29(26)21-38)46-34-20-28-25(18-33(34)42-3)13-15-39(2)30(28)16-23-6-9-27(10-7-23)45-32-17-24(22-40)8-11-31(32)41/h6-11,17-20,30,40-41H,12-16,21-22H2,1-5H3/t30-/m0/s1
InChIKey VGKYKFPHEHEUOQ-PMERELPUSA-N
Mol Weight 626.8 g/mol
Molecular Formula C37H42N2O7
Exact Mass 626.299202 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BZp3RXPcv1l
Name Chenabinol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 626.299201693 u
Formula C37H42N2O7
InChI InChI=1S/C37H42N2O7/c1-38-14-12-26-19-35(43-4)37(44-5)36(29(26)21-38)46-34-20-28-25(18-33(34)42-3)13-15-39(2)30(28)16-23-6-9-27(10-7-23)45-32-17-24(22-40)8-11-31(32)41/h6-11,17-20,30,40-41H,12-16,21-22H2,1-5H3/t30-/m0/s1
InChIKey VGKYKFPHEHEUOQ-PMERELPUSA-N
Molecular Weight 626.750 g/mol
SMILES C1(=C2C(CCN(C2)C)=CC(=C1OC)OC)OC=1C=C2[C@@](N(C)CCC2=CC1OC)(CC1=CC=C(OC=2C(=CC=C(C2)CO)O)C=C1)[H]