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2,3-trans-3,4-cis-4,5,7,3',4',5'-Hexakis(benzyloxy)flavan-3-ol
SpectraBase Compound ID 5Qqt0U3Jn3Q
InChI InChI=1S/C57H50O8/c58-54-55(47-31-51(61-37-43-23-11-3-12-24-43)56(63-39-45-27-15-5-16-28-45)52(32-47)62-38-44-25-13-4-14-26-44)65-50-34-48(59-35-41-19-7-1-8-20-41)33-49(60-36-42-21-9-2-10-22-42)53(50)57(54)64-40-46-29-17-6-18-30-46/h1-34,54-55,57-58H,35-40H2/t54-,55-,57+/m1/s1
InChIKey GBZSLJRJGDWDQQ-VVZIHNAISA-N
Mol Weight 863.0 g/mol
Molecular Formula C57H50O8
Exact Mass 862.350569 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3V83jwDLQ8
Name 2,3-trans-3,4-cis-4,5,7,3',4',5'-Hexakis(benzyloxy)flavan-3-ol
Alternate Name(s) (2R,3S,4S)-4,5,7-tris(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-1-benzopyran-3-ol (2R,3S,4S)-4,5,7-tribenzyloxy-2-(3,4,5-tribenzyloxyphenyl)chroman-3-ol (2R,3S,4S)-4,5,7-tris(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-ol
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Formula C57H50O8
InChI InChI=1S/C57H50O8/c58-54-55(47-31-51(61-37-43-23-11-3-12-24-43)56(63-39-45-27-15-5-16-28-45)52(32-47)62-38-44-25-13-4-14-26-44)65-50-34-48(59-35-41-19-7-1-8-20-41)33-49(60-36-42-21-9-2-10-22-42)53(50)57(54)64-40-46-29-17-6-18-30-46/h1-34,54-55,57-58H,35-40H2/t54-,55-,57+/m1/s1
InChIKey GBZSLJRJGDWDQQ-VVZIHNAISA-N
Molecular Weight 863.019 g/mol
SMILES O[C@]1([C@](c2c(O[C@@]1(c1cc(OCc3ccccc3)c(c(c1)OCc1ccccc1)OCc1ccccc1)[H])cc(cc2OCc1ccccc1)OCc1ccccc1)(OCc1ccccc1)[H])[H]
SPLASH splash10-052f-7901000000-4ebe360001593cb966e2
Source of Spectrum U1-2010-2551-12
Wiley ID 1663701