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(1R,2S,6S)-2-Acetoxymethyl-9-bis(ethoxycarbonyl)-7-(methoxycarbonyl)methylene-3-oxa-bicyclo[4.3.0]non-4-ene
SpectraBase Compound ID I2siGpvAg6b
InChI InChI=1S/C20H26O9/c1-5-26-18(23)20(19(24)27-6-2)10-13(9-16(22)25-4)14-7-8-28-15(17(14)20)11-29-12(3)21/h7-9,14-15,17H,5-6,10-11H2,1-4H3/b13-9-/t14-,15-,17+/m1/s1
InChIKey PBSCJYIMRXSBLS-WJAMWVSYSA-N
Mol Weight 410.42 g/mol
Molecular Formula C20H26O9
Exact Mass 410.157682 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J2e39tnPeU9
Name (1R,2S,6S)-2-Acetoxymethyl-9-bis(ethoxycarbonyl)-7-(methoxycarbonyl)methylene-3-oxa-bicyclo[4.3.0]non-4-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O9
InChI InChI=1S/C20H26O9/c1-5-26-18(23)20(19(24)27-6-2)10-13(9-16(22)25-4)14-7-8-28-15(17(14)20)11-29-12(3)21/h7-9,14-15,17H,5-6,10-11H2,1-4H3/b13-9-/t14-,15-,17+/m1/s1
InChIKey PBSCJYIMRXSBLS-WJAMWVSYSA-N
Molecular Weight 410.419 g/mol
SMILES C1([C@]2([C@@](C=CO[C@@]2(COC(=O)C)[H])([H])\C(C1)=C/C(=O)OC)[H])(C(=O)OCC)C(=O)OCC
SPLASH splash10-004l-0049000000-92cb8c37f7b4e3697ddb
Source of Spectrum F-53-3971-31
Synonyms Diethyl (1S,4aS,5Z,7aR)-1-[(acetyloxy)methyl]-5-(2-methoxy-2-oxoethylidene)-4a,5,6,7a-tetrahydrocyclopenta[c]pyran-7,7(1H)-dicarboxylate
Wiley ID 801293