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Methyl (1R,2S,4R)-4-hydroxy-2-[(trityloxy)methyl]cyclopentaneacetate

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Methyl (1R,2S,4R)-4-hydroxy-2-[(trityloxy)methyl]cyclopentaneacetate
SpectraBase Compound ID 8Wqancf0z0s
InChI InChI=1S/C28H30O4/c1-31-27(30)19-21-17-26(29)18-22(21)20-32-28(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,21-22,26,29H,17-20H2,1H3/t21-,22-,26-/m1/s1
InChIKey UQAGUBOSRVYMAH-XLGIIRLISA-N
Mol Weight 430.54 g/mol
Molecular Formula C28H30O4
Exact Mass 430.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FfvK6K5L6Fx
Name Methyl (1R,2S,4R)-4-hydroxy-2-[(trityloxy)methyl]cyclopentaneacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.214409442 u
Formula C28H30O4
InChI InChI=1S/C28H30O4/c1-31-27(30)19-21-17-26(29)18-22(21)20-32-28(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,21-22,26,29H,17-20H2,1H3/t21-,22-,26-/m1/s1
InChIKey UQAGUBOSRVYMAH-XLGIIRLISA-N
Molecular Weight 430.544 g/mol
SMILES C(OC[C@@]1([C@@](CC(=O)OC)(C[C@](C1)(O)[H])[H])[H])(C=1C=CC=CC1)(C1=CC=CC=C1)C=1C=CC=CC1