Bisacetonide - [ 3',4'-bis(acetoxyphenyl)propenoyl]-derivative- - Optional[MS (GC)] - Spectrum

SpectraBase Compound ID	ITvUV5TKe16
InChI	InChI=1S/C26H30O11/c1-14(27)31-17-9-7-16(11-18(17)32-15(2)28)8-10-21(29)33-19-12-26(23(30)36-25(5,6)37-26)13-20-22(19)35-24(3,4)34-20/h7-11,19-20,22H,12-13H2,1-6H3/b10-8+/t19-,20-,22+,26-/m1/s1
InChIKey	FSJSENKKBGFVDC-FEXOLUKPSA-N Google Search
Mol Weight	518.52 g/mol
Molecular Formula	C26H30O11
Exact Mass	518.178812 g/mol

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SpectraBase Spectrum ID	Jfd44zlStni
Name	Bisacetonide - [ 3',4'-bis(acetoxyphenyl)propenoyl]-derivative-
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C26H30O11
InChI	InChI=1S/C26H30O11/c1-14(27)31-17-9-7-16(11-18(17)32-15(2)28)8-10-21(29)33-19-12-26(23(30)36-25(5,6)37-26)13-20-22(19)35-24(3,4)34-20/h7-11,19-20,22H,12-13H2,1-6H3/b10-8+/t19-,20-,22+,26-/m1/s1
InChIKey	FSJSENKKBGFVDC-FEXOLUKPSA-N
Molecular Weight	518.515 g/mol
SMILES	[C@]12(C(OC(O2)(C)C)=O)C[C@]2(OC(C)(C)O[C@]2([C@@](C1)(OC(\C=C\c1cc(OC(=O)C)c(cc1)OC(=O)C)=O)[H])[H])[H]
SPLASH	splash10-0fvi-0067970000-b474840a80f2837db100
Source of Spectrum	K1-2001-1140-12
Synonyms	(E)-3-(3,4-diacetyloxyphenyl)-2-propenoic acid [(3'aR,4S,4'R,7'aR)-2,2,2',2'-tetramethyl-5-oxo-4'-spiro[1,3-dioxolane-4,6'-4,5,7,7a-tetrahydro-3aH-1,3-benzodioxole]yl] ester [(3'aR,4S,4'R,7'aR)-2,2,2',2'-tetramethyl-5-oxospiro[1,3-dioxolane-4,6'-4,5,7,7a-tetrahydro-3aH-1,3-benzodioxole]-4'-yl] (E)-3-(3,4-diacetyloxyphenyl)prop-2-enoate [(3'aR,4S,4'R,7'aR)-2,2,2',2'-tetramethyl-5-oxo-spiro[1,3-dioxolane-4,6'-4,5,7,7a-tetrahydro-3aH-1,3-benzodioxole]-4'-yl] (E)-3-(3,4-diacetoxyphenyl)prop-2-enoate [(3'aR,4S,4'R,7'aR)-2,2,2',2'-tetramethyl-5-oxidanylidene-spiro[1,3-dioxolane-4,6'-4,5,7,7a-tetrahydro-3aH-1,3-benzodioxole]-4'-yl] (E)-3-(3,4-diacetyloxyphenyl)prop-2-enoate
Wiley ID	846765