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1H-Naphtho[2,3-c]pyran-5,10-dione, 3,4-dihydro-9-hydroxy-1,3-dimethyl-7-(phenylmethoxy)-, trans-(.+-.)-
SpectraBase Compound ID Lu4yZOumbq9
InChI InChI=1S/C22H20O5/c1-12-8-16-19(13(2)27-12)22(25)20-17(21(16)24)9-15(10-18(20)23)26-11-14-6-4-3-5-7-14/h3-7,9-10,12-13,23H,8,11H2,1-2H3/t12-,13-/m0/s1
InChIKey RPCISWDPRUBYJB-STQMWFEESA-N
Mol Weight 364.4 g/mol
Molecular Formula C22H20O5
Exact Mass 364.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fvh3oDo4RC1
Name 1H-Naphtho[2,3-c]pyran-5,10-dione, 3,4-dihydro-9-hydroxy-1,3-dimethyl-7-(phenylmethoxy)-, trans-(.+-.)-
CAS Registry Number 119098-56-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20O5
InChI InChI=1S/C22H20O5/c1-12-8-16-19(13(2)27-12)22(25)20-17(21(16)24)9-15(10-18(20)23)26-11-14-6-4-3-5-7-14/h3-7,9-10,12-13,23H,8,11H2,1-2H3/t12-,13-/m0/s1
InChIKey RPCISWDPRUBYJB-STQMWFEESA-N
Molecular Weight 364.397 g/mol
SMILES Oc1c2C(C3=C(C(=O)c2cc(c1)OCc1ccccc1)C[C@@](O[C@]3(C)[H])(C)[H])=O
SPLASH splash10-0006-9003000000-3f327c131bd5c242d6c0
Source of Spectrum KC-1988-2475-6
Synonyms (+-)-7-Benzyloxy-3,4-dihydro-9-hydroxy-r-1,t-3-dimethyl-1H-naphtho[2,3-c]pyran-5,10-quinone (1S,3S)-7-(benzyloxy)-9-hydroxy-1,3-dimethyl-3,4-dihydro-1H-naphtho[2,3-c]pyran-5,10-dione
Wiley ID 1350965