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(3S,4R,5R,6S)-5-Acetoxy-3,4-di-(4-methoxybenzyl)oxy-6-(tetrahydropyran-2-yl)oxycyclohex-1-ene

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(3S,4R,5R,6S)-5-Acetoxy-3,4-di-(4-methoxybenzyl)oxy-6-(tetrahydropyran-2-yl)oxycyclohex-1-ene
SpectraBase Compound ID GMxA0pGuhae
InChI InChI=1S/C29H36O8/c1-20(30)36-29-26(37-27-6-4-5-17-33-27)16-15-25(34-18-21-7-11-23(31-2)12-8-21)28(29)35-19-22-9-13-24(32-3)14-10-22/h7-16,25-29H,4-6,17-19H2,1-3H3/t25-,26-,27?,28+,29+/m0/s1
InChIKey JNVMKMMIHNWOKW-QSHLXTGTSA-N
Mol Weight 512.6 g/mol
Molecular Formula C29H36O8
Exact Mass 512.241018 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IcblzUIPWeT
Name (3S,4R,5R,6S)-5-Acetoxy-3,4-di-(4-methoxybenzyl)oxy-6-(tetrahydropyran-2-yl)oxycyclohex-1-ene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 512.241018111 u
Formula C29H36O8
InChI InChI=1S/C29H36O8/c1-20(30)36-29-26(37-27-6-4-5-17-33-27)16-15-25(34-18-21-7-11-23(31-2)12-8-21)28(29)35-19-22-9-13-24(32-3)14-10-22/h7-16,25-29H,4-6,17-19H2,1-3H3/t25-,26-,27?,28+,29+/m0/s1
InChIKey JNVMKMMIHNWOKW-QSHLXTGTSA-N
Molecular Weight 512.599 g/mol
SMILES [C@]1([C@](OCC2=CC=C(C=C2)OC)([C@@](OCC2=CC=C(C=C2)OC)(C=C[C@@]1(OC1OCCCC1)[H])[H])[H])(OC(=O)C)[H]