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(1S,2R,4R,6R,8S)-2,4-Diacedtoxy-4-(methoxycarbonyl)-8-phenyl-7,9-dioxabicyclo[4.3.0]nonane
SpectraBase Compound ID GewS3oIJXFn
InChI InChI=1S/C19H22O8/c1-11(20)24-14-9-19(18(22)23-3,27-12(2)21)10-15-16(14)26-17(25-15)13-7-5-4-6-8-13/h4-8,14-17H,9-10H2,1-3H3/t14-,15-,16-,17+,19+/m1/s1
InChIKey PNMBYSBNSSXYLV-RXYDEIHYSA-N
Mol Weight 378.38 g/mol
Molecular Formula C19H22O8
Exact Mass 378.131468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9h7AEbItScy
Name (1S,2R,4R,6R,8S)-2,4-Diacedtoxy-4-(methoxycarbonyl)-8-phenyl-7,9-dioxabicyclo[4.3.0]nonane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O8
InChI InChI=1S/C19H22O8/c1-11(20)24-14-9-19(18(22)23-3,27-12(2)21)10-15-16(14)26-17(25-15)13-7-5-4-6-8-13/h4-8,14-17H,9-10H2,1-3H3/t14-,15-,16-,17+,19+/m1/s1
InChIKey PNMBYSBNSSXYLV-RXYDEIHYSA-N
Molecular Weight 378.377 g/mol
SMILES [C@]1(C[C@]2(O[C@](c3ccccc3)(O[C@@]2([C@@](C1)(OC(=O)C)[H])[H])[H])[H])(C(=O)OC)OC(=O)C
SPLASH splash10-052f-9501000000-85220688dbc7cc1c3ee6
Source of Spectrum J-57-5801-3
Synonyms Methyl (2S,3aR,5R,7R,7aS)-5,7-bis(acetyloxy)-2-phenylhexahydro-1,3-benzodioxole-5-carboxylate Methyl 3,4-O-Benzylidene-1,5-diaxetyl-(-)-Quinate
Wiley ID 1358650