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(1R*,E)-1-((3aS*,6aS*)-6a-((4-methoxyphenoxy)methyl)-5',5'-dimethyl-2-oxo-2,3,3a,6a-tetrahydrospiro[cyclopenta[b]furan-4,2'-[1,3]dioxane]-3-yl)-3-(2,5,5-trimethyl-1,3-dioxan-2-yl)allyl methanesulfonate
SpectraBase Compound ID 78hUxaqPafo
InChI InChI=1S/C31H42O11S/c1-27(2)16-37-29(5,38-17-27)13-12-23(42-43(7,33)34)24-25-30(41-26(24)32,20-36-22-10-8-21(35-6)9-11-22)14-15-31(25)39-18-28(3,4)19-40-31/h8-15,23-25H,16-20H2,1-7H3/b13-12+/t23-,24?,25+,30-/m1/s1
InChIKey WEIUOYNMZZFWIK-CJGKVOSRSA-N
Mol Weight 622.7 g/mol
Molecular Formula C31H42O11S
Exact Mass 622.244783 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DQPi0kNUQoV
Name (1R*,E)-1-((3aS*,6aS*)-6a-((4-methoxyphenoxy)methyl)-5',5'-dimethyl-2-oxo-2,3,3a,6a-tetrahydrospiro[cyclopenta[b]furan-4,2'-[1,3]dioxane]-3-yl)-3-(2,5,5-trimethyl-1,3-dioxan-2-yl)allyl methanesulfonate
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Formula C31H42O11S
InChI InChI=1S/C31H42O11S/c1-27(2)16-37-29(5,38-17-27)13-12-23(42-43(7,33)34)24-25-30(41-26(24)32,20-36-22-10-8-21(35-6)9-11-22)14-15-31(25)39-18-28(3,4)19-40-31/h8-15,23-25H,16-20H2,1-7H3/b13-12+/t23-,24?,25+,30-/m1/s1
InChIKey WEIUOYNMZZFWIK-CJGKVOSRSA-N
Molecular Weight 622.726 g/mol
SMILES [C@@](OS(=O)(=O)C)(C1[C@@]2(C3(C=C[C@]2(COc2ccc(cc2)OC)OC1=O)OCC(C)(C)CO3)[H])(\C=C\C1(OCC(CO1)(C)C)C)[H]
SPLASH splash10-00di-0500096000-79281c7502de1fd25ccb
Source of Spectrum JF-341-388-13b
Synonyms (1R,E)-1-((3aS,6aS)-6a-((4-methoxyphenoxy)methyl)-5',5'-dimethyl-2-oxo-2,3,3a,6a-tetrahydrospiro[cyclopenta[b]furan-4,2'-[1,3]dioxan]-3-yl)-3-(2,5,5-trimethyl-1,3-dioxan-2-yl)allyl methanesulfonate
Wiley ID 1766720