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(16R)-3-O-(tert-Butyldimethylsilyl)-13-(1'-hydroxymethyl)-16-(2"-(tetrahydropyranyl)oxy)-11.alpha.hydroxy-dihydrodeacylcynaropicrin
SpectraBase Compound ID GQYk25xBKIk
InChI InChI=1S/C24H40O5Si/c1-13(2)12-24(27)20-17(25)10-14(3)16-11-18(29-30(8,9)23(5,6)7)15(4)19(16)21(20)28-22(24)26/h13,16-21,25,27H,3-4,10-12H2,1-2,5-9H3/t16-,17-,18?,19-,20+,21+,24-/m0/s1
InChIKey PNFYZHCFVZKMPF-ADJKZBLTSA-N
Mol Weight 436.7 g/mol
Molecular Formula C24H40O5Si
Exact Mass 436.264501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 83nGWpdp8jZ
Name (16R)-3-O-(tert-Butyldimethylsilyl)-13-(1'-hydroxymethyl)-16-(2"-(tetrahydropyranyl)oxy)-11.alpha.hydroxy-dihydrodeacylcynaropicrin
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H40O5Si
InChI InChI=1S/C24H40O5Si/c1-13(2)12-24(27)20-17(25)10-14(3)16-11-18(29-30(8,9)23(5,6)7)15(4)19(16)21(20)28-22(24)26/h13,16-21,25,27H,3-4,10-12H2,1-2,5-9H3/t16-,17-,18?,19-,20+,21+,24-/m0/s1
InChIKey PNFYZHCFVZKMPF-ADJKZBLTSA-N
Molecular Weight 436.664 g/mol
SMILES O[C@]1(CC([C@]2([C@@]([C@@]3([C@@]1([C@](C(O3)=O)(CC(C)C)O)[H])[H])(C(C(C2)O[Si](C(C)(C)C)(C)C)=C)[H])[H])=C)[H]
SPLASH splash10-000i-9000000000-d2ef250f1f5a05177e95
Source of Spectrum F-49-2506-16
Synonyms (16S)-3-O-(tert-Butyldimethylsilyl)-13-(1'-hydroxymethyl)-16-(2''-(tetrahydropyranyl)oxy)-11.alpha.hydroxy-dihydrodeacylcynaropicrin (16S)-3-O-(tert-Butyldimethylsilyl)-13-(1'-hydroxymethyl)-16-(2''-(tetrahydropyranyl)oxy)-11.alpha.hydroxy-dihydrodeacylcynaropicrin (16R)-3-O-(tert-Butyldimethylsilyl)-13-(1'-hydroxymethyl)-16-(2''-(tetrahydropyranyl)oxy)-11.alpha.hydroxy-dihydrodeacylcynaropicrin (1R,2R,4S,6aR,9aR)-8-(tert-Butyl-dimethyl-silanyloxy)-3,4-dihydroxy-3-((S)-isobutyl)-6,9-dimethylene-decahydro-azuleno[4,5-b]furan-2-one
Wiley ID 1402495