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(3S,3aS,4S,4aR,5S,9aR)-4-hydroxy-3-({[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}methyl)-4a,5-dimethyl-3a,4,4a,5,6,7,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one

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(3S,3aS,4S,4aR,5S,9aR)-4-hydroxy-3-({[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}methyl)-4a,5-dimethyl-3a,4,4a,5,6,7,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
SpectraBase Compound ID JVVZy9y0cuj
InChI InChI=1S/C26H34N2O4/c1-15-5-4-6-17-11-22-23(24(29)26(15,17)2)20(25(30)32-22)14-27-10-9-16-13-28-21-8-7-18(31-3)12-19(16)21/h6-8,12-13,15,20,22-24,27-29H,4-5,9-11,14H2,1-3H3/t15?,20?,22-,23-,24?,26-/m1/s1
InChIKey BJRTZLZJYHGJHK-CDQUESFZSA-N
Mol Weight 438.6 g/mol
Molecular Formula C26H34N2O4
Exact Mass 438.251858 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DahUoL83Y2T
Name (3S,3as,4S,4ar,5S,9ar)-4-Hydroxy-3-({[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}methyl)-4A,5-dimethyl-3A,4,4A,5,6,7,9,9A-octahydronaphtho[2,3-B]furan-2(3H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.251857579 u
Formula C26H34N2O4
InChI InChI=1S/C26H34N2O4/c1-15-5-4-6-17-11-22-23(24(29)26(15,17)2)20(25(30)32-22)14-27-10-9-16-13-28-21-8-7-18(31-3)12-19(16)21/h6-8,12-13,15,20,22-24,27-29H,4-5,9-11,14H2,1-3H3/t15?,20?,22-,23-,24?,26-/m1/s1
InChIKey BJRTZLZJYHGJHK-CDQUESFZSA-N
Molecular Weight 438.568 g/mol
SMILES [C@]12(C([C@@]3(C(CCC=C3C[C@]2(OC(C1CNCCC=1C2=C(C=CC(=C2)OC)NC1)=O)[H])C)C)O)[H]