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(3S)-9-Methoxy-20-hydroxy-16,17-dinor-18-seco-yohimbine-15-one

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(3S)-9-Methoxy-20-hydroxy-16,17-dinor-18-seco-yohimbine-15-one
SpectraBase Compound ID 9vxLIyGBwnG
InChI InChI=1S/C18H22N2O3/c1-3-18(22)10-20-8-7-11-16-12(5-4-6-14(16)23-2)19-17(11)13(20)9-15(18)21/h4-6,13,19,22H,3,7-10H2,1-2H3/t13-,18+/m0/s1
InChIKey NPRUSBKVLGYMQO-SCLBCKFNSA-N
Mol Weight 314.38 g/mol
Molecular Formula C18H22N2O3
Exact Mass 314.163043 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4p0eYac1S7V
Name (3S)-9-Methoxy-20-hydroxy-16,17-dinor-18-seco-yohimbine-15-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.163042573 u
Formula C18H22N2O3
InChI InChI=1S/C18H22N2O3/c1-3-18(22)10-20-8-7-11-16-12(5-4-6-14(16)23-2)19-17(11)13(20)9-15(18)21/h4-6,13,19,22H,3,7-10H2,1-2H3/t13-,18+/m0/s1
InChIKey NPRUSBKVLGYMQO-SCLBCKFNSA-N
Molecular Weight 314.385 g/mol
SMILES C12=C(C3=C(OC)C=CC=C3N2)CCN2[C@]1(CC([C@@](O)(CC)C2)=O)[H]