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(1'S,4R,8R) 8-Acetoxy-4-hydroxy-2-(1'-hydroxyheptyl)-3,4,5,6,7,8-hexahydro-2H-[1]-benzopyran-5-one

View entire compound with spectra: 1 MS (GC)

(1'S,4R,8R) 8-Acetoxy-4-hydroxy-2-(1'-hydroxyheptyl)-3,4,5,6,7,8-hexahydro-2H-[1]-benzopyran-5-one
SpectraBase Compound ID G2XiA6KbICI
InChI InChI=1S/C18H28O6/c1-3-4-5-6-7-12(20)16-10-14(22)17-13(21)8-9-15(18(17)24-16)23-11(2)19/h12,14-16,20,22H,3-10H2,1-2H3/t12-,14+,15+,16?/m0/s1
InChIKey OVEFXIZABXDWCQ-FZRMUPSSSA-N
Mol Weight 340.42 g/mol
Molecular Formula C18H28O6
Exact Mass 340.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2vZUsJGkjPO
Name (1'S,4R,8R) 8-Acetoxy-4-hydroxy-2-(1'-hydroxyheptyl)-3,4,5,6,7,8-hexahydro-2H-[1]-benzopyran-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O6
InChI InChI=1S/C18H28O6/c1-3-4-5-6-7-12(20)16-10-14(22)17-13(21)8-9-15(18(17)24-16)23-11(2)19/h12,14-16,20,22H,3-10H2,1-2H3/t12-,14+,15+,16?/m0/s1
InChIKey OVEFXIZABXDWCQ-FZRMUPSSSA-N
Molecular Weight 340.416 g/mol
SMILES O[C@]1(C2=C(OC([C@@](O)(CCCCCC)[H])C1)[C@@](CCC2=O)(OC(=O)C)[H])[H]
SPLASH splash10-014r-1900000000-bf01cd0b0bce0eaeb660
Source of Spectrum X2-52-74-5
Synonyms (4R,8R)-4-hydroxy-2-[(1S)-1-hydroxyheptyl]-5-oxo-3,4,5,6,7,8-hexahydro-2H-chromen-8-yl acetate 4-Acetoxy-8-hydroxy-2-(1'-hydroxyheptyl)-3,4,5,6,7,8-hexahydro-2H-[1]-benzopyran-5-one
Wiley ID 1603002