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2-.beta.-Phenoxy-3-(isobutylamino)-4-hydroxy-6-phenyl-1,5,7-trioxabicyclo[4.4.0]decane
SpectraBase Compound ID Ae347RSysBX
InChI InChI=1S/C23H29NO5/c1-15(2)13-24-19-20(25)21-18(28-23(19)27-17-11-7-4-8-12-17)14-26-22(29-21)16-9-5-3-6-10-16/h3-12,15,18-25H,13-14H2,1-2H3/t18-,19-,20+,21-,22?,23?/m1/s1
InChIKey WDGXFLLCDWOQCT-STKKPUNESA-N
Mol Weight 399.49 g/mol
Molecular Formula C23H29NO5
Exact Mass 399.204573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IlHr5p92s6V
Name 2-.beta.-Phenoxy-3-(isobutylamino)-4-hydroxy-6-phenyl-1,5,7-trioxabicyclo[4.4.0]decane
Alternate Name(s) (8R)-7-[(2-methylpropyl)amino]-8-phenoxy-4a-phenyl-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-6-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H29NO5
InChI InChI=1S/C23H29NO5/c1-15(2)13-24-19-20(25)21-18(28-23(19)27-17-11-7-4-8-12-17)14-26-22(29-21)16-9-5-3-6-10-16/h3-12,15,18-25H,13-14H2,1-2H3/t18-,19-,20+,21-,22?,23?/m1/s1
InChIKey WDGXFLLCDWOQCT-STKKPUNESA-N
Molecular Weight 399.487 g/mol
SMILES O[C@]1([C@](C(O[C@@]2(COC(O[C@@]12[H])c1ccccc1)[H])Oc1ccccc1)(NCC(C)C)[H])[H]
SPLASH splash10-0avi-5809000000-fc0ac8e4696f116b9239
Source of Spectrum O-31-495-29
Wiley ID 1369038