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trans-methyl [9-hydroxy-1-methyl-5,10-dioxo-3,4,5,10-tetrahydro-1H-naphtho[2,3-c]pyran-3-yl]acetate
SpectraBase Compound ID 1XFirMWuv5T
InChI InChI=1S/C17H16O6/c1-8-14-11(6-9(23-8)7-13(19)22-2)16(20)10-4-3-5-12(18)15(10)17(14)21/h3-5,8-9,18H,6-7H2,1-2H3/t8-,9+/m0/s1
InChIKey FMEUWIKCSICJBO-DTWKUNHWSA-N
Mol Weight 316.31 g/mol
Molecular Formula C17H16O6
Exact Mass 316.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46osw9Zr313
Name trans-methyl [9-hydroxy-1-methyl-5,10-dioxo-3,4,5,10-tetrahydro-1H-naphtho[2,3-c]pyran-3-yl]acetate
CAS Registry Number 73804-46-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O6
InChI InChI=1S/C17H16O6/c1-8-14-11(6-9(23-8)7-13(19)22-2)16(20)10-4-3-5-12(18)15(10)17(14)21/h3-5,8-9,18H,6-7H2,1-2H3/t8-,9+/m0/s1
InChIKey FMEUWIKCSICJBO-DTWKUNHWSA-N
Molecular Weight 316.309 g/mol
SMILES Oc1c2C(C3=C(C(=O)c2ccc1)C[C@@](O[C@]3(C)[H])(CC(=O)OC)[H])=O
SPLASH splash10-0006-0090000000-941bfbe6366a90b7049e
Source of Spectrum J-51-357-53
Synonyms Methyl[(1S,3R)-9-hydroxy-1-methyl-5,10-dioxo-3,4,5,10-tetrahydro-1H-naphtho[2,3-c]pyran-3-yl]acetate 2-[(1S,3R)-9-hydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g][2]benzopyran-3-yl]acetic acid methyl ester Methyl 2-[(1S,3R)-9-hydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetate Methyl 2-[(1S,3R)-1-methyl-9-oxidanyl-5,10-bis(oxidanylidene)-3,4-dihydro-1H-benzo[g]isochromen-3-yl]ethanoate
Wiley ID 1316661