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(1'R*,2R*,6S*)-2-(1'-Benzoyloxyethyl-2-benzoyloxymethyl-6-(2''-propenyl)oxane
SpectraBase Compound ID 7oc9sp3n102
InChI InChI=1S/C25H28O5/c1-3-11-22-16-10-17-25(30-22,18-28-23(26)20-12-6-4-7-13-20)19(2)29-24(27)21-14-8-5-9-15-21/h3-9,12-15,19,22H,1,10-11,16-18H2,2H3/t19-,22-,25-/m1/s1
InChIKey KRGBCYZMQNHIHD-OPJGWUQDSA-N
Mol Weight 408.49 g/mol
Molecular Formula C25H28O5
Exact Mass 408.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KoEp6rnjNzn
Name (1'R*,2R*,6S*)-2-(1'-Benzoyloxyethyl-2-benzoyloxymethyl-6-(2''-propenyl)oxane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28O5
InChI InChI=1S/C25H28O5/c1-3-11-22-16-10-17-25(30-22,18-28-23(26)20-12-6-4-7-13-20)19(2)29-24(27)21-14-8-5-9-15-21/h3-9,12-15,19,22H,1,10-11,16-18H2,2H3/t19-,22-,25-/m1/s1
InChIKey KRGBCYZMQNHIHD-OPJGWUQDSA-N
Molecular Weight 408.494 g/mol
SMILES [C@]1(O[C@@](CC=C)([H])CCC1)([C@](OC(=O)c1ccccc1)(C)[H])COC(=O)c1ccccc1
SPLASH splash10-0a4i-0790000000-b21c15fafbad6a0810f4
Source of Spectrum F-56-1079-37
Synonyms benzoic acid [(2R,6S)-2-[(1R)-1-benzoyloxyethyl]-6-prop-2-enyl-2-oxanyl]methyl ester [(2R,6S)-2-[(1R)-1-benzoyloxyethyl]-6-prop-2-enyloxan-2-yl]methyl benzoate [(2R,6S)-6-allyl-2-[(1R)-1-benzoyloxyethyl]tetrahydropyran-2-yl]methyl benzoate [(2R,6S)-2-[(1R)-1-(phenylcarbonyloxy)ethyl]-6-prop-2-enyl-oxan-2-yl]methyl benzoate
Wiley ID 855873