2-{(S)-1-[(3aR,8aR)-2,2-Dimethyl-6-oxo-4,4,8,8-tetraphenylperhydro-6.lamda.5-phosphepino[4,5-d][1,3]dioxol-6-yl]-1-(4-phenylmethyl)methyl}malonic acid dimethyl ester

SpectraBase Compound ID	ASKEMCLSh1E
InChI	InChI=1S/C44H43O9P/c1-42(2)50-38-39(51-42)44(34-26-16-8-17-27-34,35-28-18-9-19-29-35)53-54(47,52-43(38,32-22-12-6-13-23-32)33-24-14-7-15-25-33)36(30-31-20-10-5-11-21-31)37(40(45)48-3)41(46)49-4/h5-29,36-39H,30H2,1-4H3/t36-,38-,39-/m1/s1
InChIKey	AOALYIBVGXTBRS-QJUVWIGKSA-N Google Search
Mol Weight	746.8 g/mol
Molecular Formula	C44H43O9P
Exact Mass	746.26447 g/mol

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SpectraBase Spectrum ID	FRnPOC5bd3w
Name	2-{(S)-1-[(3aR,8aR)-2,2-Dimethyl-6-oxo-4,4,8,8-tetraphenylperhydro-6.lamda.5-phosphepino[4,5-d][1,3]dioxol-6-yl]-1-(4-phenylmethyl)methyl}malonic acid dimethyl ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C44H43O9P
InChI	InChI=1S/C44H43O9P/c1-42(2)50-38-39(51-42)44(34-26-16-8-17-27-34,35-28-18-9-19-29-35)53-54(47,52-43(38,32-22-12-6-13-23-32)33-24-14-7-15-25-33)36(30-31-20-10-5-11-21-31)37(40(45)48-3)41(46)49-4/h5-29,36-39H,30H2,1-4H3/t36-,38-,39-/m1/s1
InChIKey	AOALYIBVGXTBRS-QJUVWIGKSA-N
Molecular Weight	746.793 g/mol
SMILES	C1(OP(OC([C@@]2(OC(O[C@@]12[H])(C)C)[H])(c1ccccc1)c1ccccc1)([C@@](C(C(=O)OC)C(=O)OC)(Cc1ccccc1)[H])=O)(c1ccccc1)c1ccccc1
SPLASH	splash10-0002-0490000000-72f0972f1cd565a3a117
Source of Spectrum	F4-0-1457-8
Synonyms	2-{(S)-1-[(3aR,8aR)-2,2-Dimethyl-6-oxo-4,4,8,8-tetraphenylperhydro-6.lambda.5-phosphepino[4,5-d][1,3]dioxol-6-yl]-1-(4-phenylmethyl)methyl}malonic acid dimethyl ester
Wiley ID	1619651