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1H-2-Benzopyran-7-butanoic acid, 8-hydroxy-.alpha.,6-dimethoxy-3-methyl-1-oxo-, methyl ester, (R)-
SpectraBase Compound ID 4Sjm7lh9GrR
InChI InChI=1S/C17H20O7/c1-9-7-10-8-13(22-3)11(15(18)14(10)17(20)24-9)5-6-12(21-2)16(19)23-4/h7-8,12,18H,5-6H2,1-4H3/t12-/m1/s1
InChIKey JUOIKEXQUADJHU-GFCCVEGCSA-N
Mol Weight 336.34 g/mol
Molecular Formula C17H20O7
Exact Mass 336.120903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 919DeBci0jf
Name 1H-2-Benzopyran-7-butanoic acid, 8-hydroxy-.alpha.,6-dimethoxy-3-methyl-1-oxo-, methyl ester, (R)-
Alternate Name(s) 8-Hydroxy-6-methoxy-7-(3-methoxy-3-methoxycarbonyl-propyl)-3-methylisocoumarin Methyl (2R)-4-(8-hydroxy-6-methoxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)-2-methoxybutanoate
CAS Registry Number 115006-54-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O7
InChI InChI=1S/C17H20O7/c1-9-7-10-8-13(22-3)11(15(18)14(10)17(20)24-9)5-6-12(21-2)16(19)23-4/h7-8,12,18H,5-6H2,1-4H3/t12-/m1/s1
InChIKey JUOIKEXQUADJHU-GFCCVEGCSA-N
Molecular Weight 336.340 g/mol
SMILES Oc1c2C(OC(=Cc2cc(OC)c1CC[C@](C(=O)OC)(OC)[H])C)=O
SPLASH splash10-0159-0091000000-7e1f50c346fd2d6b9b11
Source of Spectrum KC-1988-751-2
Wiley ID 1332239