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2-THIOXO-2-(1,2-DISTEAROYL-3-RAC-GLYCERO)-5-BENZYLOXY-1,3,2-DIOXAPHOSPHORINANE

View entire compound with spectra: 1 NMR

2-THIOXO-2-(1,2-DISTEAROYL-3-RAC-GLYCERO)-5-BENZYLOXY-1,3,2-DIOXAPHOSPHORINANE
SpectraBase Compound ID 65oy0IDYzyV
InChI InChI=1S/C49H87O8PS/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34-38-48(50)53-41-47(44-56-58(59)54-42-46(43-55-58)52-40-45-36-32-31-33-37-45)57-49(51)39-35-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-33,36-37,46-47H,3-30,34-35,38-44H2,1-2H3
InChIKey AIYWBRCOUBWHIE-UHFFFAOYSA-N
Mol Weight 867.3 g/mol
Molecular Formula C49H87O8PS
Exact Mass 866.585928 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F6gcrtnVDJx
Name 2-THIOXO-2-(1,2-DISTEAROYL-3-RAC-GLYCERO)-5-BENZYLOXY-1,3,2-DIOXAPHOSPHORINANE
Comments , TWO ISOMERS, SCALE INVERTED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C49H87O8PS
InChI InChI=1S/C49H87O8PS/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34-38-48(50)53-41-47(44-56-58(59)54-42-46(43-55-58)52-40-45-36-32-31-33-37-45)57-49(51)39-35-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-33,36-37,46-47H,3-30,34-35,38-44H2,1-2H3
InChIKey AIYWBRCOUBWHIE-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference D.A.PREDVODITELEV, T.G.CHUKBAR, T.P.ZELENEVA, E.E.NIFANT'EV (1981)Zhurn.Org.Khim.(Russ. Lang.): v.17, N6, 1305-1315.
NMR Standard -H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C6H6 benzene