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(3'E,3R,2''R,5''R,7''R) / (3'Z,3R,2''S,5''R,7''R)-5,7-Dimethoxy-3-[5'-(2''-methyl-1'',6''-dioxaspiro[4.5]dec-7''-yl)pent-3'-en-1'-yl]-3H-isobenzofuran-1-one
SpectraBase Compound ID 41nIQUAKGkC
InChI InChI=1S/C24H32O6/c1-16-11-13-24(29-16)12-7-9-17(30-24)8-5-4-6-10-20-19-14-18(26-2)15-21(27-3)22(19)23(25)28-20/h4-5,14-17,20H,6-13H2,1-3H3/b5-4-/t16-,17-,20+,24+/m0/s1
InChIKey GAYPYRKKUJHITB-ZVHQFULWSA-N
Mol Weight 416.5 g/mol
Molecular Formula C24H32O6
Exact Mass 416.219889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 328UcyrJWrM
Name (3'E,3R,2''R,5''R,7''R) / (3'Z,3R,2''S,5''R,7''R)-5,7-Dimethoxy-3-[5'-(2''-methyl-1'',6''-dioxaspiro[4.5]dec-7''-yl)pent-3'-en-1'-yl]-3H-isobenzofuran-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H32O6
InChI InChI=1S/C24H32O6/c1-16-11-13-24(29-16)12-7-9-17(30-24)8-5-4-6-10-20-19-14-18(26-2)15-21(27-3)22(19)23(25)28-20/h4-5,14-17,20H,6-13H2,1-3H3/b5-4-/t16-,17-,20+,24+/m0/s1
InChIKey GAYPYRKKUJHITB-ZVHQFULWSA-N
Molecular Weight 416.514 g/mol
SMILES c12C(O[C@@](c2cc(cc1OC)OC)(CC\C=C/C[C@@]1(O[C@]2(O[C@@](C)(CC2)[H])CCC1)[H])[H])=O
SPLASH splash10-0a4i-4920000000-0d18b8ad8d6b6c0eabc6
Source of Spectrum F5-5-2581-30b
Synonyms (3'E,3R,2''S,5''R,7''R) / (3'Z,3R,2''S,5''R,7''R)-5,7-Dimethoxy-3-[5'-(2''-methyl-1'',6''-dioxaspiro[4.5]dec-7''-yl)pent-3'-en-1'-yl]-3H-isobenzofuran-1-one (R)-5,7-dimethoxy-3-((Z)-5-((2S,5R,7R)-2-methyl-1,6-dioxaspiro[4.5]decan-7-yl)pent-3-en-1-yl)isobenzofuran-1(3H)-one
Wiley ID 1733259