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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHhYmI2zR9x
Name (3S,4R,5R,6S)-5-Acetoxy-3,4-di-(4-methoxybenzyl)oxy-6-(tetrahydropyran-2-yl)oxycyclohex-1-ene
Alternate Name(s) (1R,2S,5S,6R)-5,6-bis[(4-methoxybenzyl)oxy]-2-(tetrahydro-2H-pyran-2-yloxy)-3-cyclohexen-1-yl acetate Acetic acid [(1R,2S,5S,6R)-5,6-bis[(4-methoxyphenyl)methoxy]-2-(2-oxanyloxy)-1-cyclohex-3-enyl] ester [(1R,2S,5S,6R)-5,6-bis[(4-methoxyphenyl)methoxy]-2-(oxan-2-yloxy)cyclohex-3-en-1-yl] acetate [(1R,2S,5S,6R)-5,6-bis[(4-methoxyphenyl)methoxy]-2-tetrahydropyran-2-yloxy-cyclohex-3-en-1-yl] acetate [(1R,2S,5S,6R)-5,6-bis[(4-methoxyphenyl)methoxy]-2-(oxan-2-yloxy)cyclohex-3-en-1-yl] ethanoate
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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@](OCc2ccc(cc2)OC)([C@@](OCc2ccc(cc2)OC)(C=C[C@@]1(OC1OCCCC1)[H])[H])[H])(OC(=O)C)[H]
SPLASH splash10-0079-5911000000-9997e4fe65dffa809c09
Source of Spectrum F-55-2213-15
Wiley ID 837008