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1,3-Dioxaspiro[5.5]undecane-7-methanol, 10-(benzoyloxy)-5-[8-[4-(benzoyloxy)-8,9-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl]-4,6-dimethyl-2,6-octadienylidene]-9-methyl-2-phenyl-, [6S-[6.alpha.[2R*,5E[2E,4S*,6E,8(2S*,4R*,6S*,8S*,9R*)]],7.alpha.,9.a lpha.,10.beta.]]-
SpectraBase Compound ID HIy1hJOrQAm
InChI InChI=1S/C52H64O9/c1-35(28-36(2)24-25-45-30-46(57-48(54)40-17-9-6-10-18-40)31-51(60-45)27-26-37(3)39(5)59-51)16-15-23-43-34-56-50(42-21-13-8-14-22-42)61-52(43)32-47(38(4)29-44(52)33-53)58-49(55)41-19-11-7-12-20-41/h6-24,35,37-39,44-47,50,53H,25-34H2,1-5H3/b16-15+,36-24+,43-23+
InChIKey MUSAXIQZRWCUTP-LGLADCJQSA-N
Mol Weight 833.1 g/mol
Molecular Formula C52H64O9
Exact Mass 832.455034 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID PvSxGJBCuS
Name 1,3-Dioxaspiro[5.5]undecane-7-methanol, 10-(benzoyloxy)-5-[8-[4-(benzoyloxy)-8,9-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl]-4,6-dimethyl-2,6-octadienylidene]-9-methyl-2-phenyl-, [6S-[6.alpha.[2R*,5E[2E,4S*,6E,8(2S*,4R*,6S*,8S*,9R*)]],7.alpha.,9.a lpha.,10.beta.]]-
Alternate Name(s) 1,7-Dioxaspiro[5.5]undecane, 1,3-dioxaspiro[5.5]undecane-7-methanol deriv. (+)-[2r,5e(2E,4R,6E,8(2R,4S,6S,8R,9S)]6S,7S,9S,10S]-10-benzoyloxy-5-[(4-benzoyloxy-8,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl)-4,6-dimethyl-2,6-octadienylidene]-9-methyl-2-phenyl-1,3-dioxaspiro[5.5]undecane-7-methanol (5E)-5-[(2E,6E)-8-[4-(benzoyloxy)-8,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-4,6-dimethylocta-2,6-dien-1-ylidene]-11-(hydroxymethyl)-9-methyl-2-phenyl-1,3-dioxaspiro[5.5]undecan-8-yl benzoate
CAS Registry Number 127785-60-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C52H64O9
InChI InChI=1S/C52H64O9/c1-35(28-36(2)24-25-45-30-46(57-48(54)40-17-9-6-10-18-40)31-51(60-45)27-26-37(3)39(5)59-51)16-15-23-43-34-56-50(42-21-13-8-14-22-42)61-52(43)32-47(38(4)29-44(52)33-53)58-49(55)41-19-11-7-12-20-41/h6-24,35,37-39,44-47,50,53H,25-34H2,1-5H3/b16-15+,36-24+,43-23+
InChIKey MUSAXIQZRWCUTP-LGLADCJQSA-N
Molecular Weight 833.075 g/mol
SMILES OCC1C2(OC(c3ccccc3)OC\C2=C\C=C\C(C\C(=C\CC2OC3(OC(C)C(CC3)C)CC(C2)OC(=O)c2ccccc2)C)C)CC(OC(=O)c2ccccc2)C(C1)C
SPLASH splash10-001i-0900000000-e2c04ec760414f8eea59
Source of Spectrum F-45-7186-41
Wiley ID 1417552