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(5aR,7R,9aR)-6,6,9a-trimethyl-7-oxidanyl-2-pyridin-3-yl-5a,7,8,9-tetrahydro-5H-pyrano[2,3-b]chromen-4-one

View entire compound with spectra: 1 MS (GC)

(5aR,7R,9aR)-6,6,9a-trimethyl-7-oxidanyl-2-pyridin-3-yl-5a,7,8,9-tetrahydro-5H-pyrano[2,3-b]chromen-4-one
SpectraBase Compound ID 64NrUFn1NuU
InChI InChI=1S/C20H23NO4/c1-19(2)16-9-13-14(22)10-15(12-5-4-8-21-11-12)24-18(13)25-20(16,3)7-6-17(19)23/h4-5,8,10-11,16-17,23H,6-7,9H2,1-3H3/t16-,17-,20-/m1/s1
InChIKey ABZMRIZTKBFDSY-MBOZVWFJSA-N
Mol Weight 341.41 g/mol
Molecular Formula C20H23NO4
Exact Mass 341.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4l1BZF6wqT9
Name (5aR,7R,9aR)-6,6,9a-trimethyl-7-oxidanyl-2-pyridin-3-yl-5a,7,8,9-tetrahydro-5H-pyrano[2,3-b]chromen-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23NO4
InChI InChI=1S/C20H23NO4/c1-19(2)16-9-13-14(22)10-15(12-5-4-8-21-11-12)24-18(13)25-20(16,3)7-6-17(19)23/h4-5,8,10-11,16-17,23H,6-7,9H2,1-3H3/t16-,17-,20-/m1/s1
InChIKey ABZMRIZTKBFDSY-MBOZVWFJSA-N
Molecular Weight 341.407 g/mol
SMILES O[C@@]1(CC[C@]2(OC3=C(C(=O)C=C(O3)c3cnccc3)C[C@@]2(C1(C)C)[H])C)[H]
SPLASH splash10-0zml-3975000000-adec4524559f4eee300f
Source of Spectrum D1-2007-1729-8
Synonyms (5aR,7R,9aR)-7-hydroxy-6,6,9a-trimethyl-2-(3-pyridinyl)-5a,7,8,9-tetrahydro-5H-pyrano[2,3-b][1]benzopyran-4-one (5aR,7R,9aR)-7-hydroxy-6,6,9a-trimethyl-2-(3-pyridyl)-5a,7,8,9-tetrahydro-5H-pyrano[2,3-b]chromen-4-one (5aR,7R,9aR)-7-hydroxy-6,6,9a-trimethyl-2-pyridin-3-yl-5a,7,8,9-tetrahydro-5H-pyrano[2,3-b]chromen-4-one
Wiley ID 1639509