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(1R,2R,6S,7R,9R,10S,11R,15R,16S,19S,23R,E)-10,11,16-tris((tert-butyldimethylsilyl)oxy)-7,14,15,19-tetramethyl-12-methylene-2-((E)-4-methylpenta-1,3-dien-1-yl)-3,26,27-trioxatricyclo[21.2.1.1(6,9)]heptacos-13-ene-4,18,21-trione
SpectraBase Compound ID GUIz0bDfNpK
InChI InChI=1S/C53H94O9Si3/c1-34(2)24-23-25-43-44-27-26-41(57-44)31-40(54)29-36(4)42(55)32-46(60-63(17,18)51(8,9)10)39(7)35(3)28-38(6)49(61-64(19,20)52(11,12)13)50(62-65(21,22)53(14,15)16)47-30-37(5)45(58-47)33-48(56)59-43/h23-25,28,36-37,39,41,43-47,49-50H,6,26-27,29-33H2,1-5,7-22H3/b25-23+,35-28+/t36-,37+,39+,41+,43+,44+,45-,46-,47+,49+,50-/m0/s1
InChIKey NLGNVZLCNIRKRU-PCMPENOWSA-N
Mol Weight 959.6 g/mol
Molecular Formula C53H94O9Si3
Exact Mass 958.620564 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 69T84o2btR7
Name (1R,2R,6S,7R,9R,10S,11R,15R,16S,19S,23R,E)-10,11,16-tris((tert-butyldimethylsilyl)oxy)-7,14,15,19-tetramethyl-12-methylene-2-((E)-4-methylpenta-1,3-dien-1-yl)-3,26,27-trioxatricyclo[21.2.1.1(6,9)]heptacos-13-ene-4,18,21-trione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C53H94O9Si3
InChI InChI=1S/C53H94O9Si3/c1-34(2)24-23-25-43-44-27-26-41(57-44)31-40(54)29-36(4)42(55)32-46(60-63(17,18)51(8,9)10)39(7)35(3)28-38(6)49(61-64(19,20)52(11,12)13)50(62-65(21,22)53(14,15)16)47-30-37(5)45(58-47)33-48(56)59-43/h23-25,28,36-37,39,41,43-47,49-50H,6,26-27,29-33H2,1-5,7-22H3/b25-23+,35-28+/t36-,37+,39+,41+,43+,44+,45-,46-,47+,49+,50-/m0/s1
InChIKey NLGNVZLCNIRKRU-PCMPENOWSA-N
Molecular Weight 959.581 g/mol
SMILES [C@@]12([C@@]([C@](O[Si](C)(C(C)(C)C)C)(C(\C=C\([C@]([C@](CC(=O)[C@](CC(=O)C[C@]3(CC[C@]([C@](OC(C[C@@](O2)([H])[C@](C)(C1)[H])=O)(\C=C\C=C(C)C)[H])(O3)[H])[H])(C)[H])(O[Si](C)(C)C(C)(C)C)[H])(C)[H])C)=C)[H])(O[Si](C)(C)C(C)(C)C)[H])[H]
SPLASH splash10-00gi-9321300001-7b144bb0813aed878d8c
Source of Spectrum ACI-52-SMS29-38
Wiley ID 1781392