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(1'R,2'R/S,4S)-4-(1-Hydroxy-2-phenylselenylpentadecanyl)-2,2-dimethyl[1,3]dioxan-5-one

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(1'R,2'R/S,4S)-4-(1-Hydroxy-2-phenylselenylpentadecanyl)-2,2-dimethyl[1,3]dioxan-5-one
SpectraBase Compound ID 41UavyBsUjs
InChI InChI=1S/C27H44O4Se/c1-4-5-6-7-8-9-10-11-12-13-17-20-24(32-22-18-15-14-16-19-22)25(29)26-23(28)21-30-27(2,3)31-26/h14-16,18-19,24-26,29H,4-13,17,20-21H2,1-3H3/t24?,25-,26+/m0/s1
InChIKey PPTZGWAMZVHCAG-XBCLTQTASA-N
Mol Weight 511.6 g/mol
Molecular Formula C27H44O4Se
Exact Mass 512.240482 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LlLdj5jbbDM
Name (1'R,2'R/S,4S)-4-(1-Hydroxy-2-phenylselenylpentadecanyl)-2,2-dimethyl[1,3]dioxan-5-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 512.240481893 u
Formula C27H44O4Se
InChI InChI=1S/C27H44O4Se/c1-4-5-6-7-8-9-10-11-12-13-17-20-24(32-22-18-15-14-16-19-22)25(29)26-23(28)21-30-27(2,3)31-26/h14-16,18-19,24-26,29H,4-13,17,20-21H2,1-3H3/t24?,25-,26+/m0/s1
InChIKey PPTZGWAMZVHCAG-XBCLTQTASA-N
Molecular Weight 511.617 g/mol
SMILES [C@@]1(OC(C)(C)OCC1=O)([C@](C([Se]C1=CC=CC=C1)CCCCCCCCCCCCC)(O)[H])[H]