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1,3,7-Nonanetriol, 8-[4,6-bis(acetyloxy)tetrahydro-3,5-dimethyl-2H-pyran-2-yl]-, triacetate
SpectraBase Compound ID EeHh00ONOHc
InChI InChI=1S/C26H42O11/c1-14(24-15(2)25(35-20(7)30)16(3)26(37-24)36-21(8)31)23(34-19(6)29)11-9-10-22(33-18(5)28)12-13-32-17(4)27/h14-16,22-26H,9-13H2,1-8H3
InChIKey DQRRTFZEBNHAHV-UHFFFAOYSA-N
Mol Weight 530.6 g/mol
Molecular Formula C26H42O11
Exact Mass 530.272712 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C75rVjqUoPb
Name 1,3,7-Nonanetriol, 8-[4,6-bis(acetyloxy)tetrahydro-3,5-dimethyl-2H-pyran-2-yl]-, triacetate
CAS Registry Number 81875-51-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H42O11
InChI InChI=1S/C26H42O11/c1-14(24-15(2)25(35-20(7)30)16(3)26(37-24)36-21(8)31)23(34-19(6)29)11-9-10-22(33-18(5)28)12-13-32-17(4)27/h14-16,22-26H,9-13H2,1-8H3
InChIKey DQRRTFZEBNHAHV-UHFFFAOYSA-N
Molecular Weight 530.611 g/mol
SMILES C1(OC(C(C(OC(=O)C)CCCC(OC(=O)C)CCOC(=O)C)C)C(C(C1C)OC(=O)C)C)OC(=O)C
SPLASH splash10-0006-9100000000-b9d93932fa58d28feb87
Source of Spectrum C-104-4140-0
Synonyms 1,7-bis(acetyloxy)-8-[4,6-bis(acetyloxy)-3,5-dimethyloxan-2-yl]nonan-3-yl acetate Peracetyl derivative of 2-(2,6,8-trihydroxy-2-nonyl)-1-oxa-3,5-dimethyl-4,6-dihydroxycyclohexane
Wiley ID 1403307