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7-[2',4',6'-Triacetoxytridecyl]- (perhydro)bipyran-1-one
SpectraBase Compound ID 6iwYGiHY3qm
InChI InChI=1S/C26H42O9/c1-5-6-7-8-9-10-20(31-17(2)27)11-21(32-18(3)28)12-22(33-19(4)29)13-23-14-24-15-25(34-23)16-26(30)35-24/h20-25H,5-16H2,1-4H3/t20-,21-,22-,23+,24+,25-/m1/s1
InChIKey CMNQGFPBVNBROE-MBJZRRMBSA-N
Mol Weight 498.6 g/mol
Molecular Formula C26H42O9
Exact Mass 498.282883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2gpcqHQjR2
Name 7-[2',4',6'-Triacetoxytridecyl]- (perhydro)bipyran-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H42O9
InChI InChI=1S/C26H42O9/c1-5-6-7-8-9-10-20(31-17(2)27)11-21(32-18(3)28)12-22(33-19(4)29)13-23-14-24-15-25(34-23)16-26(30)35-24/h20-25H,5-16H2,1-4H3/t20-,21-,22-,23+,24+,25-/m1/s1
InChIKey CMNQGFPBVNBROE-MBJZRRMBSA-N
Molecular Weight 498.613 g/mol
SMILES C1(O[C@]2(C[C@@](O[C@@](C1)(C2)[H])(C[C@@](C[C@](OC(=O)C)(C[C@](OC(=O)C)(CCCCCCC)[H])[H])(OC(=O)C)[H])[H])[H])=O
SPLASH splash10-016u-0509000000-026f4dc7b037e0c44c53
Source of Spectrum G4-71-726-2a
Synonyms Triacetyl-polyrhacitide B
Wiley ID 1694921