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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-(4-phenylphenyl)methyl}malonic acid dimethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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-phenylphenyl)methyl}malonic acid dimethyl ester
SpectraBase Compound ID 4TZ6E3i34vL
InChI InChI=1S/C49H45O9P/c1-47(2)55-43-44(56-47)49(39-26-16-8-17-27-39,40-28-18-9-19-29-40)58-59(52,57-48(43,37-22-12-6-13-23-37)38-24-14-7-15-25-38)42(41(45(50)53-3)46(51)54-4)36-32-30-35(31-33-36)34-20-10-5-11-21-34/h5-33,41-44H,1-4H3/t42-,43+,44+/m0/s1
InChIKey CFRZKPVRWWVXIQ-HHWNUHTHSA-N
Mol Weight 808.9 g/mol
Molecular Formula C49H45O9P
Exact Mass 808.28012 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HaoI0WFi7b
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-phenylphenyl)methyl}malonic acid dimethyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C49H45O9P
InChI InChI=1S/C49H45O9P/c1-47(2)55-43-44(56-47)49(39-26-16-8-17-27-39,40-28-18-9-19-29-40)58-59(52,57-48(43,37-22-12-6-13-23-37)38-24-14-7-15-25-38)42(41(45(50)53-3)46(51)54-4)36-32-30-35(31-33-36)34-20-10-5-11-21-34/h5-33,41-44H,1-4H3/t42-,43+,44+/m0/s1
InChIKey CFRZKPVRWWVXIQ-HHWNUHTHSA-N
Molecular Weight 808.864 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)(c1ccc(cc1)-c1ccccc1)[H])=O)(c1ccccc1)c1ccccc1
SPLASH splash10-03di-0329000000-097e00bd60ee41199532
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-phenylphenyl)methyl}malonic acid dimethyl ester 2-[(R)-[(3aR,8aR)-2,2-dimethyl-6-oxo-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl]-(4-phenylphenyl)methyl]propanedioic acid dimethyl ester Dimethyl 2-[(R)-[(3aR,8aR)-2,2-dimethyl-6-oxo-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl]-(4-phenylphenyl)methyl]propanedioate Dimethyl 2-[(R)-[(3aR,8aR)-2,2-dimethyl-6-oxidanylidene-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl]-(4-phenylphenyl)methyl]propanedioate
Wiley ID 1619652