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2-Hydroxy-3,4-dihydro-3(S*)-(1-methoxy-3,4-O-isopropylidene-2-oxobutyl)-1(2H)-naphthalenone
SpectraBase Compound ID 6NSY21hPZv5
InChI InChI=1S/C18H22O6/c1-18(2)23-9-13(24-18)16(21)17(22-3)12-8-10-6-4-5-7-11(10)14(19)15(12)20/h4-7,12-13,15,17,20H,8-9H2,1-3H3/t12-,13?,15?,17?/m0/s1
InChIKey XXSXLFWGIXHJSN-NINQJYKLSA-N
Mol Weight 334.37 g/mol
Molecular Formula C18H22O6
Exact Mass 334.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HCPoZE7rXe1
Name 2-Hydroxy-3,4-dihydro-3(S*)-(1-methoxy-3,4-O-isopropylidene-2-oxobutyl)-1(2H)-naphthalenone
CAS Registry Number 72777-18-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O6
InChI InChI=1S/C18H22O6/c1-18(2)23-9-13(24-18)16(21)17(22-3)12-8-10-6-4-5-7-11(10)14(19)15(12)20/h4-7,12-13,15,17,20H,8-9H2,1-3H3/t12-,13?,15?,17?/m0/s1
InChIKey XXSXLFWGIXHJSN-NINQJYKLSA-N
Molecular Weight 334.368 g/mol
SMILES OC1C(=O)c2c(C[C@@]1(C(C(C1OC(C)(C)OC1)=O)OC)[H])cccc2
SPLASH splash10-0htj-8934000000-19367164c8e66fb0321a
Source of Spectrum J-48-3276-0
Synonyms (3S)-3-[(1R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-2-oxoethyl]-2-hydroxy-3,4-dihydro-1(2H)-naphthalenone
Wiley ID 1330875