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(3R,4S)-4-(1,3-Benzodioxol-5-ylcarbonyl)-3-[(R)-1-(1,3-benzodioxol-5-yl)-1-hydroxymethyl]tetrahydro-2-furanone

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(3R,4S)-4-(1,3-Benzodioxol-5-ylcarbonyl)-3-[(R)-1-(1,3-benzodioxol-5-yl)-1-hydroxymethyl]tetrahydro-2-furanone
SpectraBase Compound ID 4QXopnA8TQD
InChI InChI=1S/C20H16O8/c21-18(10-1-3-13-15(5-10)27-8-25-13)12-7-24-20(23)17(12)19(22)11-2-4-14-16(6-11)28-9-26-14/h1-6,12,17,19,22H,7-9H2/t12-,17-,19+/m1/s1
InChIKey NKWURCUFFTUYBK-LLSQANQASA-N
Mol Weight 384.34 g/mol
Molecular Formula C20H16O8
Exact Mass 384.084517 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DSg6XZkrc3D
Name (3R,4S)-4-(1,3-Benzodioxol-5-ylcarbonyl)-3-[(R)-1-(1,3-benzodioxol-5-yl)-1-hydroxymethyl]tetrahydro-2-furanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.084517467 u
Formula C20H16O8
InChI InChI=1S/C20H16O8/c21-18(10-1-3-13-15(5-10)27-8-25-13)12-7-24-20(23)17(12)19(22)11-2-4-14-16(6-11)28-9-26-14/h1-6,12,17,19,22H,7-9H2/t12-,17-,19+/m1/s1
InChIKey NKWURCUFFTUYBK-LLSQANQASA-N
Molecular Weight 384.340 g/mol
SMILES [C@]1([C@](C(C2=CC=3OCOC3C=C2)=O)(COC1=O)[H])([C@](C1=CC=2OCOC2C=C1)(O)[H])[H]