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Constanolactone E-acetonide methyl ester
SpectraBase Compound ID AKWin7dzgyp
InChI InChI=1S/C24H40O5/c1-5-6-7-8-9-10-13-21-22(29-24(2,3)28-21)16-15-18-17-19(18)20(25)12-11-14-23(26)27-4/h9-10,15-16,18-22,25H,5-8,11-14,17H2,1-4H3/b10-9-,16-15+/t18-,19-,20-,21+,22-/m1/s1
InChIKey WUYPOIZXHPDYNO-TXGHDONMSA-N
Mol Weight 408.6 g/mol
Molecular Formula C24H40O5
Exact Mass 408.287574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5J8HoLROgOE
Name Constanolactone E-acetonide methyl ester
Alternate Name(s) (5R)-5-[(1R,2S)-2-[(E)-2-[(4R,5S)-2,2-dimethyl-5-[(Z)-oct-2-enyl]-1,3-dioxolan-4-yl]ethenyl]cyclopropyl]-5-hydroxypentanoic acid methyl ester Methyl (5R)-5-[(1R,2S)-2-[(E)-2-[(4R,5S)-2,2-dimethyl-5-[(Z)-oct-2-enyl]-1,3-dioxolan-4-yl]ethenyl]cyclopropyl]-5-hydroxypentanoate Methyl (5R)-5-[(1R,2S)-2-[(E)-2-[(4R,5S)-2,2-dimethyl-5-[(Z)-oct-2-enyl]-1,3-dioxolan-4-yl]vinyl]cyclopropyl]-5-hydroxy-pentanoate Methyl (5R)-5-[(1R,2S)-2-[(E)-2-[(4R,5S)-2,2-dimethyl-5-[(Z)-oct-2-enyl]-1,3-dioxolan-4-yl]ethenyl]cyclopropyl]-5-oxidanyl-pentanoate
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Formula C24H40O5
InChI InChI=1S/C24H40O5/c1-5-6-7-8-9-10-13-21-22(29-24(2,3)28-21)16-15-18-17-19(18)20(25)12-11-14-23(26)27-4/h9-10,15-16,18-22,25H,5-8,11-14,17H2,1-4H3/b10-9-,16-15+/t18-,19-,20-,21+,22-/m1/s1
InChIKey WUYPOIZXHPDYNO-TXGHDONMSA-N
Molecular Weight 408.579 g/mol
SMILES O[C@@]([C@]1([C@@](C1)(\C=C\[C@]1(OC(C)(C)O[C@]1(C\C=C/CCCCC)[H])[H])[H])[H])(CCCC(=O)OC)[H]
SPLASH splash10-0002-4910000000-d3b871c481dc9d10cd74
Source of Spectrum J-59-7236-30
Wiley ID 1373074