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(2R,3S,4S,5R,6S)-2-Butyl-6-methoxy-3-(4-methoxybenzyloxy)tetrahydropyran-4,5-diyl bis[(R)-.alpha.-methoxy-.alpha.-(trifluoromethyl)phenylacetate]
SpectraBase Compound ID JbNzqhLqDNR
InChI InChI=1S/C38H40F6O11/c1-6-7-18-27-28(53-31(45)23-19-21-26(48-2)22-20-23)29(54-33(46)35(50-4,37(39,40)41)24-14-10-8-11-15-24)30(32(49-3)52-27)55-34(47)36(51-5,38(42,43)44)25-16-12-9-13-17-25/h8-17,19-22,27-30,32H,6-7,18H2,1-5H3/t27-,28-,29+,30+,32+,35-,36-/m1/s1
InChIKey QIYMRLWOCKAQOR-ODBHKNSRSA-N
Mol Weight 786.7 g/mol
Molecular Formula C38H40F6O11
Exact Mass 786.247481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CpLgZNupflL
Name (2R,3S,4S,5R,6S)-2-Butyl-6-methoxy-3-(4-methoxybenzyloxy)tetrahydropyran-4,5-diyl bis[(R)-.alpha.-methoxy-.alpha.-(trifluoromethyl)phenylacetate]
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Formula C38H40F6O11
InChI InChI=1S/C38H40F6O11/c1-6-7-18-27-28(53-31(45)23-19-21-26(48-2)22-20-23)29(54-33(46)35(50-4,37(39,40)41)24-14-10-8-11-15-24)30(32(49-3)52-27)55-34(47)36(51-5,38(42,43)44)25-16-12-9-13-17-25/h8-17,19-22,27-30,32H,6-7,18H2,1-5H3/t27-,28-,29+,30+,32+,35-,36-/m1/s1
InChIKey QIYMRLWOCKAQOR-ODBHKNSRSA-N
Molecular Weight 786.717 g/mol
SMILES [C@@]1([C@](OC([C@@](C(F)(F)F)(c2ccccc2)OC)=O)([C@@](OC)(O[C@@]([C@]1(OC(c1ccc(cc1)OC)=O)[H])(CCCC)[H])[H])[H])(OC([C@@](C(F)(F)F)(c1ccccc1)OC)=O)[H]
SPLASH splash10-000i-0901000000-d722bc6c7059bc52a432
Source of Spectrum K-2002-1642-42
Synonyms Methyl 6,7,8,9-tetradeoxy-4-O-(4-methoxybenzoyl)-2,3-bis-O-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-.alpha.-D-manno-nonopyranoside
Wiley ID 1612865