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1H-Pyrido[3,4-b]indol-6-ol, 1-[[16(R),19E]-19,20-didehydro-17-norcorynan-16-yl]-2,3,4,9-tetrahydro-
SpectraBase Compound ID GXtyPor8prv
InChI InChI=1S/C29H32N4O/c1-2-17-16-33-12-10-22-20-5-3-4-6-24(20)32-29(22)27(33)14-18(17)13-26-28-21(9-11-30-26)23-15-19(34)7-8-25(23)31-28/h2-8,15,18,26-27,30-32,34H,9-14,16H2,1H3/b17-2+
InChIKey CPBXKOSGZMSCBX-LAZPYJJCSA-N
Mol Weight 452.6 g/mol
Molecular Formula C29H32N4O
Exact Mass 452.257612 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3dXRIWLiU0h
Name 1H-Pyrido[3,4-B]indol-6-ol, 1-[[16(R),19E]-19,20-didehydro-17-norcorynan-16-yl]-2,3,4,9-tetrahydro-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.257611665 u
Formula C29H32N4O
InChI InChI=1S/C29H32N4O/c1-2-17-16-33-12-10-22-20-5-3-4-6-24(20)32-29(22)27(33)14-18(17)13-26-28-21(9-11-30-26)23-15-19(34)7-8-25(23)31-28/h2-8,15,18,26-27,30-32,34H,9-14,16H2,1H3/b17-2+
InChIKey CPBXKOSGZMSCBX-LAZPYJJCSA-N
Molecular Weight 452.602 g/mol
SMILES C12=C(C=3C=CC=CC3N2)CCN2C1CC(\C(=C\C)C2)CC1C=2NC3=CC=C(C=C3C2CCN1)O