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1,6-Dioxaspiro[4.5]decane, butanoic acid deriv.

View entire compound with spectra: 1 MS (GC)

1,6-Dioxaspiro[4.5]decane, butanoic acid deriv.
SpectraBase Compound ID JF1YCnt1rjt
InChI InChI=1S/C21H26O7/c1-5-6-7-8-9-17-19(27-18(23)12-14(2)3)20(24)21(28-17)11-10-16(13-25-21)26-15(4)22/h9,14,16,19-20,24H,10-13H2,1-4H3/b17-9+/t16-,19+,20-,21+/m0/s1
InChIKey HKCLJBNDOMXPCY-CTJDIJSBSA-N
Mol Weight 390.43 g/mol
Molecular Formula C21H26O7
Exact Mass 390.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CmD9nIYWFLG
Name 1,6-Dioxaspiro[4.5]decane, butanoic acid deriv.
Alternate Name(s) Butanoic acid, 3-methyl-, 8-(acetyloxy)-2-(2,4-hexadiynylidene)-4-hydroxy-1,6-dioxaspiro[4.5]dec-3-yl ester, [2E,3.alpha.,4.beta.,5.beta.(R*)]-(+)- (+)-(3S*,4S*,5R*,8S*)-(E)-8-Acetoxy-4-hydroxy-3-isovaleroyloxy-2-(hexa-2,4-diynyliden)1,6-dioxaspiro[4,5]decane (2E,3S,4S,5R,8S)-8-(acetyloxy)-2-(hexa-2,4-diyn-1-ylidene)-4-hydroxy-1,6-dioxaspiro[4.5]decan-3-yl 3-methylbutanoate 3-Methylbutanoic acid[(1S,2S,3E,5R,8S)-8-acetyloxy-3-hexa-2,4-diynylidene-1-hydroxy-4,10-dioxaspiro[4.5]decan-2-yl]ester 3-Methylbutyric acid[(1S,2S,3E,5R,8S)-8-acetoxy-3-hexa-2,4-diynylidene-1-hydroxy-4,10-dioxaspiro[4.5]decan-2-yl]ester [(1S,2S,3E,5R,8S)-8-acetoxy-3-hexa-2,4-diynylidene-1-hydroxy-4,10-dioxaspiro[4.5]decan-2-yl]3-methylbutanoate [(1S,2S,3E,5R,8S)-8-acetyloxy-3-hexa-2,4-diynylidene-1-hydroxy-4,10-dioxaspiro[4.5]decan-2-yl]3-methylbutanoate [(1S,2S,3E,5R,8S)-8-acetyloxy-3-hexa-2,4-diynylidene-1-oxidanyl-4,10-dioxaspiro[4.5]decan-2-yl]3-methylbutanoate 3-Methylbutanoic acid [(2E,3S,4S,5R,8S)-8-acetyloxy-2-hexa-2,4-diynylidene-4-hydroxy-1,10-dioxaspiro[4.5]decan-3-yl] ester [(2E,3S,4S,5R,8S)-8-acetyloxy-2-hexa-2,4-diynylidene-4-hydroxy-1,10-dioxaspiro[4.5]decan-3-yl] 3-methylbutanoate [(2E,3S,4S,5R,8S)-8-acetoxy-2-hexa-2,4-diynylidene-4-hydroxy-1,10-dioxaspiro[4.5]decan-3-yl] 3-methylbutanoate [(2E,3S,4S,5R,8S)-8-acetyloxy-2-hexa-2,4-diynylidene-4-oxidanyl-1,10-dioxaspiro[4.5]decan-3-yl] 3-methylbutanoate
CAS Registry Number 132054-75-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O7
InChI InChI=1S/C21H26O7/c1-5-6-7-8-9-17-19(27-18(23)12-14(2)3)20(24)21(28-17)11-10-16(13-25-21)26-15(4)22/h9,14,16,19-20,24H,10-13H2,1-4H3/b17-9+/t16-,19+,20-,21+/m0/s1
InChIKey HKCLJBNDOMXPCY-CTJDIJSBSA-N
Molecular Weight 390.432 g/mol
SMILES O[C@@]1([C@@]2(O\C(=C\C#CC#CC)[C@]1(OC(=O)CC(C)C)[H])OC[C@@](OC(=O)C)(CC2)[H])[H]
SPLASH splash10-0h99-0901000000-907b16b7b62b40b0da9b
Source of Spectrum F-46-6937-1
Wiley ID 1364791