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#30;(-)-(3S)-4-[(4R,6R)-6-[[(4R,6S)-6-[(2R,4S)-4,6-DIHYDROXY-2-[[[(PHENYLMETHYL)-OXY]-METHYL]-OXY]-HEPTAN-1-YL]-2,2-DIMETHYL-1,3-DIOXAN-4-YL]-METHYL]-2,

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#30;(-)-(3S)-4-[(4R,6R)-6-[[(4R,6S)-6-[(2R,4S)-4,6-DIHYDROXY-2-[[[(PHENYLMETHYL)-OXY]-METHYL]-OXY]-HEPTAN-1-YL]-2,2-DIMETHYL-1,3-DIOXAN-4-YL]-METHYL]-2,
SpectraBase Compound ID 4qDUCx4irQ0
InChI InChI=1S/C42H64O13/c1-30(44)49-17-16-35(50-28-47-26-31-12-8-6-9-13-31)20-37-22-39(54-41(2,3)52-37)24-40-23-38(53-42(4,5)55-40)21-36(19-33(45)18-34(46)25-43)51-29-48-27-32-14-10-7-11-15-32/h6-15,33-40,43,45-46H,16-29H2,1-5H3/t33-,34+,35-,36+,37-,38+,39-,40-/m0/s1
InChIKey PDGBNYLPEDHGDW-ABRXVHCYSA-N
Mol Weight 777.0 g/mol
Molecular Formula C42H64O13
Exact Mass 776.434692 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DeVb5XZsTj7
Name #30;(-)-(3S)-4-[(4R,6R)-6-[[(4R,6S)-6-[(2R,4S)-4,6-DIHYDROXY-2-[[[(PHENYLMETHYL)-OXY]-METHYL]-OXY]-HEPTAN-1-YL]-2,2-DIMETHYL-1,3-DIOXAN-4-YL]-METHYL]-2,
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H64O13
InChI InChI=1S/C42H64O13/c1-30(44)49-17-16-35(50-28-47-26-31-12-8-6-9-13-31)20-37-22-39(54-41(2,3)52-37)24-40-23-38(53-42(4,5)55-40)21-36(19-33(45)18-34(46)25-43)51-29-48-27-32-14-10-7-11-15-32/h6-15,33-40,43,45-46H,16-29H2,1-5H3/t33-,34+,35-,36+,37-,38+,39-,40-/m0/s1
InChIKey PDGBNYLPEDHGDW-ABRXVHCYSA-N
Literature Reference Author S.GERBER-LEMAIRE,A.T.CARMONA,K.T.MEILERT,P.VOGEL
Literature Reference Citation EUR.J.ORG.CHEM.,891(2006)
Molecular Weight 776.962 g/mol
Sample ID 43632
Solvent CD3OD