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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-(3,4,5-trimethoxyphenylphenyl)methyl}malonic acid dimethyl ester
SpectraBase Compound ID JktxMo0gndK
InChI InChI=1S/C46H47O12P/c1-44(2)55-40-41(56-44)46(33-24-16-10-17-25-33,34-26-18-11-19-27-34)58-59(49,57-45(40,31-20-12-8-13-21-31)32-22-14-9-15-23-32)39(37(42(47)53-6)43(48)54-7)30-28-35(50-3)38(52-5)36(29-30)51-4/h8-29,37,39-41H,1-7H3/t39-,40-,41-/m1/s1
InChIKey HEIHMFUOONIACF-MHEUVVKCSA-N
Mol Weight 822.8 g/mol
Molecular Formula C46H47O12P
Exact Mass 822.280514 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSO2n7ZuZEE
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-(3,4,5-trimethoxyphenylphenyl)methyl}malonic acid dimethyl ester
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Formula C46H47O12P
InChI InChI=1S/C46H47O12P/c1-44(2)55-40-41(56-44)46(33-24-16-10-17-25-33,34-26-18-11-19-27-34)58-59(49,57-45(40,31-20-12-8-13-21-31)32-22-14-9-15-23-32)39(37(42(47)53-6)43(48)54-7)30-28-35(50-3)38(52-5)36(29-30)51-4/h8-29,37,39-41H,1-7H3/t39-,40-,41-/m1/s1
InChIKey HEIHMFUOONIACF-MHEUVVKCSA-N
Molecular Weight 822.844 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)(c1cc(OC)c(c(c1)OC)OC)[H])=O)(c1ccccc1)c1ccccc1
SPLASH splash10-0aba-9423000000-98b07bc58e2937508d29
Source of Spectrum F4-0-1458-8
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-(3,4,5-trimethoxyphenylphenyl)methyl}malonic acid dimethyl ester
Wiley ID 1619650