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(+-)-trans-2-(3-Hydroxy-5-carboxymethoxybenzyl)-3-(3'-hydroxybenzyl)butyrolactone
SpectraBase Compound ID I73QmQjRK4G
InChI InChI=1S/C20H20O7/c21-15-3-1-2-12(5-15)4-14-10-27-20(25)18(14)8-13-6-16(22)9-17(7-13)26-11-19(23)24/h1-3,5-7,9,14,18,21-22H,4,8,10-11H2,(H,23,24)/t14-,18+/m0/s1
InChIKey QEJGJTRTYHHVNP-KBXCAEBGSA-N
Mol Weight 372.37 g/mol
Molecular Formula C20H20O7
Exact Mass 372.120903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gy2jx1M2Dey
Name (+-)-trans-2-(3-Hydroxy-5-carboxymethoxybenzyl)-3-(3'-hydroxybenzyl)butyrolactone
Alternate Name(s) (3-hydroxy-5-{[(3R,4R)-4-(3-hydroxybenzyl)-2-oxotetrahydro-3-furanyl]methyl}phenoxy)acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O7
InChI InChI=1S/C20H20O7/c21-15-3-1-2-12(5-15)4-14-10-27-20(25)18(14)8-13-6-16(22)9-17(7-13)26-11-19(23)24/h1-3,5-7,9,14,18,21-22H,4,8,10-11H2,(H,23,24)/t14-,18+/m0/s1
InChIKey QEJGJTRTYHHVNP-KBXCAEBGSA-N
Molecular Weight 372.373 g/mol
SMILES Oc1cc(C[C@]2(COC([C@@]2(Cc2cc(cc(c2)O)OCC(=O)O)[H])=O)[H])ccc1
SPLASH splash10-001i-0903000000-5e31c03ed2102ee2c190
Source of Spectrum F-56-1879-6
Wiley ID 856302