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(9S,10S)-1,9-Dihydroxy-8-methyl-11-oxo-9,10-dihydro-11H-5,6-dioxa-cyclohepta[b]naphthalene-10-carboxylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(9S,10S)-1,9-Dihydroxy-8-methyl-11-oxo-9,10-dihydro-11H-5,6-dioxa-cyclohepta[b]naphthalene-10-carboxylic acid methyl ester
SpectraBase Compound ID ALhxQwWaKDf
InChI InChI=1S/C16H14O7/c1-7-6-22-16-12(11(13(7)18)15(20)21-2)14(19)10-8(17)4-3-5-9(10)23-16/h3-6,11,13,17-18H,1-2H3/t11-,13+/m0/s1
InChIKey ZVXAKJJCBHYGDD-WCQYABFASA-N
Mol Weight 318.28 g/mol
Molecular Formula C16H14O7
Exact Mass 318.073953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID y54XWfRv4D
Name (9S,10S)-1,9-Dihydroxy-8-methyl-11-oxo-9,10-dihydro-11H-5,6-dioxa-cyclohepta[b]naphthalene-10-carboxylic acid methyl ester
Alternate Name(s) 4,7-Dihydroxy-5-(methoxycarbonyl)-3-methyl-4,5-dihydrooxepino[2,3-b]chromen-6-one Microsphaeropsone B
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14O7
InChI InChI=1S/C16H14O7/c1-7-6-22-16-12(11(13(7)18)15(20)21-2)14(19)10-8(17)4-3-5-9(10)23-16/h3-6,11,13,17-18H,1-2H3/t11-,13+/m0/s1
InChIKey ZVXAKJJCBHYGDD-WCQYABFASA-N
Molecular Weight 318.281 g/mol
SMILES Oc1cccc2OC3=C([C@@]([C@@](C(=CO3)C)(O)[H])(C(=O)OC)[H])C(c12)=O
SPLASH splash10-014i-6955000000-52536f886d3ae516fd3f
Source of Spectrum QE-15-12129-2
Wiley ID 1693096