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(3S, 5r, 20s)-5-methylyohymbane

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(3S, 5r, 20s)-5-methylyohymbane
SpectraBase Compound ID 5xM0jweb7RN
InChI InChI=1S/C20H26N2/c1-13-10-17-16-8-4-5-9-18(16)21-20(17)19-11-14-6-2-3-7-15(14)12-22(13)19/h4-5,8-9,13-15,19,21H,2-3,6-7,10-12H2,1H3/t13-,14+,15-,19+/m1/s1
InChIKey AFROJVVIAAXBSM-GJRWTSMGSA-N
Mol Weight 294.44 g/mol
Molecular Formula C20H26N2
Exact Mass 294.209599 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Du61EQiX3hG
Name (3S, 5R, 20S)-5-Methylyohymbane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.209598845 u
Formula C20H26N2
InChI InChI=1S/C20H26N2/c1-13-10-17-16-8-4-5-9-18(16)21-20(17)19-11-14-6-2-3-7-15(14)12-22(13)19/h4-5,8-9,13-15,19,21H,2-3,6-7,10-12H2,1H3/t13-,14+,15-,19+/m1/s1
InChIKey AFROJVVIAAXBSM-GJRWTSMGSA-N
SMILES C12=C(C3=CC=CC=C3N2)C[C@](N2[C@]1(C[C@]1([C@@](CCCC1)([H])C2)[H])[H])(C)[H]