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(1R,4aR,9bS)-1-isopropyl-7,9-dimethoxy-4-(methoxymethoxy)-1,2,4a,9b-tetrahydrodibenzofuran-3-carboxylic acid ethyl ester
SpectraBase Compound ID 6CnLBbAe7Hn
InChI InChI=1S/C22H30O7/c1-7-27-22(23)15-10-14(12(2)3)18-19-16(26-6)8-13(25-5)9-17(19)29-21(18)20(15)28-11-24-4/h8-9,12,14,18,21H,7,10-11H2,1-6H3/t14-,18+,21-/m1/s1
InChIKey QKFVRHSSOBNKNQ-YMTYPPQLSA-N
Mol Weight 406.48 g/mol
Molecular Formula C22H30O7
Exact Mass 406.199153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4K3EZzpEY2e
Name (1R,4aR,9bS)-1-isopropyl-7,9-dimethoxy-4-(methoxymethoxy)-1,2,4a,9b-tetrahydrodibenzofuran-3-carboxylic acid ethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C22H30O7
InChI InChI=1S/C22H30O7/c1-7-27-22(23)15-10-14(12(2)3)18-19-16(26-6)8-13(25-5)9-17(19)29-21(18)20(15)28-11-24-4/h8-9,12,14,18,21H,7,10-11H2,1-6H3/t14-,18+,21-/m1/s1
InChIKey QKFVRHSSOBNKNQ-YMTYPPQLSA-N
Molecular Weight 406.475 g/mol
SMILES C1(=C([C@@]2(Oc3cc(OC)cc(c3[C@@]2([C@](C1)(C(C)C)[H])[H])OC)[H])OCOC)C(=O)OCC
SPLASH splash10-004i-0900300000-7e0f92acccafde36b0d1
Source of Spectrum J-68-1222-13
Synonyms Ethyl rac-(1R,4aR,9bS)-7,9-dimethoxy-4-methoxymethoxy-1-(1-methylethyl)-1,2,4a,9b-tetrahydrodibenzo[c,d]furan-3-carboxylate (1R,4aR,9bS)-7,9-dimethoxy-4-(methoxymethoxy)-1-propan-2-yl-1,2,4a,9b-tetrahydrodibenzofuran-3-carboxylic acid ethyl ester ethyl (1R,4aR,9bS)-1-isopropyl-7,9-dimethoxy-4-(methoxymethoxy)-1,2,4a,9b-tetrahydrodibenzofuran-3-carboxylate ethyl (1R,4aR,9bS)-7,9-dimethoxy-4-(methoxymethoxy)-1-propan-2-yl-1,2,4a,9b-tetrahydrodibenzofuran-3-carboxylate
Wiley ID 1536360