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(2S,3R,4S)-3-[2,3-Bis(3,4-dichlorobenzyloxy)-4-methylphenyl]-2-(hydroxy)-4-methyl-.delta.-valerolactone

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(2S,3R,4S)-3-[2,3-Bis(3,4-dichlorobenzyloxy)-4-methylphenyl]-2-(hydroxy)-4-methyl-.delta.-valerolactone
SpectraBase Compound ID 7IQfNVE1Mot
InChI InChI=1S/C27H24Cl4O5/c1-14-3-6-18(23-15(2)11-36-27(33)24(23)32)26(35-13-17-5-8-20(29)22(31)10-17)25(14)34-12-16-4-7-19(28)21(30)9-16/h3-10,15,23-24,32H,11-13H2,1-2H3/t15-,23-,24+/m1/s1
InChIKey PTVUFQFSKHOTAQ-PQRODAJWSA-N
Mol Weight 570.3 g/mol
Molecular Formula C27H24Cl4O5
Exact Mass 568.037785 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 31Pml7ExfjG
Name (2S,3R,4S)-3-[2,3-bis(3,4-Dichlorobenzyloxy)-4-methylphenyl]-2-(hydroxy)-4-methyl-.delta.-valerolactone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 568.037784668 u
Formula C27H24Cl4O5
InChI InChI=1S/C27H24Cl4O5/c1-14-3-6-18(23-15(2)11-36-27(33)24(23)32)26(35-13-17-5-8-20(29)22(31)10-17)25(14)34-12-16-4-7-19(28)21(30)9-16/h3-10,15,23-24,32H,11-13H2,1-2H3/t15-,23-,24+/m1/s1
InChIKey PTVUFQFSKHOTAQ-PQRODAJWSA-N
Molecular Weight 570.296 g/mol
SMILES C=1(C(=C(OCC=2C=C(Cl)C(=CC2)Cl)C(=CC1)C)OCC=1C=C(Cl)C(=CC1)Cl)[C@@]1([C@@](C(=O)OC[C@]1(C)[H])(O)[H])[H]