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(2S,5R,6R)-8-[(2R*,3R,5S,6S)-6-[1S,2R)-1-Ethyl-2-hydroxybutyl]-2-methoxy-3,5-dimethyltetrahydropyran-2-yl]-2-[(2R,5R,6S)-5-ethyl-5-(4-methoxybenzyloxy)-6-methyltetrahydropyran-2-yl]-6-(4-methoxybenzyloxy)oct-7-yne-2,5-diol
SpectraBase Compound ID GGAHGQv4ibB
InChI InChI=1S/C46H70O10/c1-11-38(39(47)12-2)43-31(4)28-32(5)46(52-10,56-43)27-23-41(53-29-34-14-18-36(50-8)19-15-34)40(48)22-25-44(7,49)42-24-26-45(13-3,33(6)55-42)54-30-35-16-20-37(51-9)21-17-35/h14-21,31-33,38-43,47-49H,11-13,22,24-26,28-30H2,1-10H3/t31-,32+,33-,38-,39+,40+,41+,42+,43-,44?,45+,46-/m0/s1
InChIKey RTGUVDIRWSMEPF-VIGKLQNBSA-N
Mol Weight 783.1 g/mol
Molecular Formula C46H70O10
Exact Mass 782.496898 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 63rooO8UTet
Name (2S,5R,6R)-8-[(2R*,3R,5S,6S)-6-[1S,2R)-1-Ethyl-2-hydroxybutyl]-2-methoxy-3,5-dimethyltetrahydropyran-2-yl]-2-[(2R,5R,6S)-5-ethyl-5-(4-methoxybenzyloxy)-6-methyltetrahydropyran-2-yl]-6-(4-methoxybenzyloxy)oct-7-yne-2,5-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H70O10
InChI InChI=1S/C46H70O10/c1-11-38(39(47)12-2)43-31(4)28-32(5)46(52-10,56-43)27-23-41(53-29-34-14-18-36(50-8)19-15-34)40(48)22-25-44(7,49)42-24-26-45(13-3,33(6)55-42)54-30-35-16-20-37(51-9)21-17-35/h14-21,31-33,38-43,47-49H,11-13,22,24-26,28-30H2,1-10H3/t31-,32+,33-,38-,39+,40+,41+,42+,43-,44?,45+,46-/m0/s1
InChIKey RTGUVDIRWSMEPF-VIGKLQNBSA-N
Molecular Weight 783.056 g/mol
SMILES O[C@@]([C@@]([C@]1(O[C@@](C#C[C@]([C@@](CCC([C@@]2(O[C@](C)([H])[C@@](CC2)(OCc2ccc(cc2)OC)CC)[H])(O)C)(O)[H])(OCc2ccc(cc2)OC)[H])([C@@](C[C@@]1(C)[H])(C)[H])OC)[H])(CC)[H])(CC)[H]
SPLASH splash10-00di-0900300000-b4a8989edf24f7611b59
Source of Spectrum E1-37-1724-28
Wiley ID 1517822