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(3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxidanylidene-tetradec-12-ynoic acid
SpectraBase Compound ID HbMAcxKyVre
InChI InChI=1S/C30H58O5Si2/c1-16-17-18-19-20-22(2)26(35-37(14,15)29(7,8)9)23(3)27(33)30(10,11)24(21-25(31)32)34-36(12,13)28(4,5)6/h22-24,26H,18-21H2,1-15H3,(H,31,32)/t22-,23+,24-,26-/m0/s1
InChIKey YQHHZWDHZZNBRQ-UHCVVMIDSA-N
Mol Weight 555.0 g/mol
Molecular Formula C30H58O5Si2
Exact Mass 554.382278 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EnDr0fXaTlB
Name (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxidanylidene-tetradec-12-ynoic acid
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Formula C30H58O5Si2
InChI InChI=1S/C30H58O5Si2/c1-16-17-18-19-20-22(2)26(35-37(14,15)29(7,8)9)23(3)27(33)30(10,11)24(21-25(31)32)34-36(12,13)28(4,5)6/h22-24,26H,18-21H2,1-15H3,(H,31,32)/t22-,23+,24-,26-/m0/s1
InChIKey YQHHZWDHZZNBRQ-UHCVVMIDSA-N
Molecular Weight 554.959 g/mol
SMILES OC(C[C@@](C(C([C@@]([C@@](O[Si](C(C)(C)C)(C)C)([C@](CCCC#CC)(C)[H])[H])(C)[H])=O)(C)C)(O[Si](C(C)(C)C)(C)C)[H])=O
SPLASH splash10-0uk9-5590000000-e512943e023a5f7bf023
Source of Spectrum QE-7-5312-106
Synonyms (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-keto-4,4,6,8-tetramethyl-tetradec-12-ynoic acid (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxo-12-tetradecynoic acid (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxotetradec-12-ynoic acid
Wiley ID 846240