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(1R,4aR,5S,7aR,8S)-8-[(tert-Butyldimethyl)siloxy]-1-[3-(1,3-dioxolan-2-yl)-(1S)-1-(methyl)propyl]-5-[(2-methoxyethoxy)methoxy]-2,4a,5,6,7,7a,8,9,9a-nonahydro-1H-cyclopent[f]azulene-3-one

View entire compound with spectra: 1 MS (GC)

(1R,4aR,5S,7aR,8S)-8-[(tert-Butyldimethyl)siloxy]-1-[3-(1,3-dioxolan-2-yl)-(1S)-1-(methyl)propyl]-5-[(2-methoxyethoxy)methoxy]-2,4a,5,6,7,7a,8,9,9a-nonahydro-1H-cyclopent[f]azulene-3-one
SpectraBase Compound ID 6rrxvfPKsbn
InChI InChI=1S/C30H52O7Si/c1-20(8-11-29-34-14-15-35-29)22-17-26(31)24-16-25-21(9-10-27(25)36-19-33-13-12-32-5)28(18-23(22)24)37-38(6,7)30(2,3)4/h16,20-23,25,27-29H,8-15,17-19H2,1-7H3/t20-,21+,22+,23+,25+,27-,28-/m0/s1
InChIKey XUPIRILAXIQQIT-YFFIHSRLSA-N
Mol Weight 552.8 g/mol
Molecular Formula C30H52O7Si
Exact Mass 552.348231 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DfEds8zkf1Y
Name (1R,4aR,5S,7aR,8S)-8-[(tert-Butyldimethyl)siloxy]-1-[3-(1,3-dioxolan-2-yl)-(1S)-1-(methyl)propyl]-5-[(2-methoxyethoxy)methoxy]-2,4a,5,6,7,7a,8,9,9a-nonahydro-1H-cyclopent[f]azulene-3-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H52O7Si
InChI InChI=1S/C30H52O7Si/c1-20(8-11-29-34-14-15-35-29)22-17-26(31)24-16-25-21(9-10-27(25)36-19-33-13-12-32-5)28(18-23(22)24)37-38(6,7)30(2,3)4/h16,20-23,25,27-29H,8-15,17-19H2,1-7H3/t20-,21+,22+,23+,25+,27-,28-/m0/s1
InChIKey XUPIRILAXIQQIT-YFFIHSRLSA-N
Molecular Weight 552.824 g/mol
SMILES C1=2[C@@]([C@]([C@](CCC3OCCO3)(C)[H])([H])CC1=O)(C[C@](O[Si](C(C)(C)C)(C)C)([C@]1([C@@](C2)([C@](CC1)(OCOCCOC)[H])[H])[H])[H])[H]
SPLASH splash10-0f89-0900060000-81d96352fbddef8602df
Source of Spectrum KC-0-3456-18
Synonyms (1R,4aR,5S,7aR,8S,9aR)-8-[(tert-Butyldimethyl)siloxy]-1-[3-(1,3-dioxolan-2-yl)-(1S)-1-(methyl)propyl]-5-[(2-methoxyethoxy)methoxy]-2,4a,5,6,7,7a,8,9,9a-nonahydro-1H-cyclopent[f]azulene-3-one (1R,4aR,5S,7aR,8S,9aR)-8-{[tert-butyl(dimethyl)silyl]oxy}-1-[(1R)-3-(1,3-dioxolan-2-yl)-1-methylpropyl]-5-[(2-methoxyethoxy)methoxy]-1,2,4a,5,6,7,7a,8,9,9a-decahydro-3H-cyclopenta[f]azulen-3-one (3R,3aR,5S,5aR,8S,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-3-[(1S)-3-(1,3-dioxolan-2-yl)-1-methyl-propyl]-8-(2-methoxyethoxymethoxy)-2,3,3a,4,5,5a,6,7,8,8a-decahydrocyclopenta[g]azulen-1-one (3R,3aR,5S,5aR,8S,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-3-[(2S)-4-(1,3-dioxolan-2-yl)butan-2-yl]-8-(2-methoxyethoxymethoxy)-2,3,3a,4,5,5a,6,7,8,8a-decahydrocyclopenta[g]azulen-1-one
Wiley ID 782732