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(1S,2S,4R,5R,6R)-5-Benzyloxymethyl-6-((S)-2,2,dimethyl[1,3]dioxolan-4-yl)-4-methoxymethoxy-5-methylbicyclo[2.2.1]heptane-2-yl acetate
SpectraBase Compound ID 2XCb9fkAN5A
InChI InChI=1S/C25H36O7/c1-17(26)31-20-12-25(30-16-27-5)11-19(20)22(21-14-29-23(2,3)32-21)24(25,4)15-28-13-18-9-7-6-8-10-18/h6-10,19-22H,11-16H2,1-5H3/t19-,20+,21-,22+,24+,25-/m1/s1
InChIKey CBBOPDPPLIQGOF-BGLURFIJSA-N
Mol Weight 448.6 g/mol
Molecular Formula C25H36O7
Exact Mass 448.246103 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjIGclLQm1J
Name (1S,2S,4R,5R,6R)-5-Benzyloxymethyl-6-((S)-2,2,dimethyl[1,3]dioxolan-4-yl)-4-methoxymethoxy-5-methylbicyclo[2.2.1]heptane-2-yl acetate
Alternate Name(s) Acetic acid [(1S,2R,3R,4R,6S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)-3-methyl-3-(phenylmethoxymethyl)-6-bicyclo[2.2.1]heptanyl] ester [(1S,2R,3R,4R,6S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)-3-methyl-3-(phenylmethoxymethyl)-6-bicyclo[2.2.1]heptanyl] acetate [(1S,2S,4R,5R,6R)-5-(benzyloxymethyl)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)-5-methyl-norbornan-2-yl] acetate [(1S,2R,3R,4R,6S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)-3-methyl-3-(phenylmethoxymethyl)-6-bicyclo[2.2.1]heptanyl] ethanoate
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Formula C25H36O7
InChI InChI=1S/C25H36O7/c1-17(26)31-20-12-25(30-16-27-5)11-19(20)22(21-14-29-23(2,3)32-21)24(25,4)15-28-13-18-9-7-6-8-10-18/h6-10,19-22H,11-16H2,1-5H3/t19-,20+,21-,22+,24+,25-/m1/s1
InChIKey CBBOPDPPLIQGOF-BGLURFIJSA-N
Molecular Weight 448.556 g/mol
SMILES [C@@]12([C@]([C@]([C@@]3(OC(C)(C)OC3)[H])([C@@](C1)([H])[C@](C2)(OC(=O)C)[H])[H])(COCc1ccccc1)C)OCOC
SPLASH splash10-0006-9000000000-91a47c5bc0140ea2e98f
Source of Spectrum F-59-67-13
Wiley ID 1712086