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2H-Pyran-2,4-diol, 6-[6-(acetyloxy)-2,4-hexadienyl]tetrahydro-3-methyl-, diacetate, [2.alpha.,3.beta.,4.alpha.,6.alpha.(2E,4E)]-
SpectraBase Compound ID H0TBMlAhXMb
InChI InChI=1S/C18H26O7/c1-12-17(23-14(3)20)11-16(25-18(12)24-15(4)21)9-7-5-6-8-10-22-13(2)19/h5-8,12,16-18H,9-11H2,1-4H3/b7-5+,8-6+/t12-,16-,17+,18-/m0/s1
InChIKey CLPZJQYQJFYPHZ-RLYJMWJJSA-N
Mol Weight 354.4 g/mol
Molecular Formula C18H26O7
Exact Mass 354.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bc3wkJiIZul
Name 2H-Pyran-2,4-diol, 6-[6-(acetyloxy)-2,4-hexadienyl]tetrahydro-3-methyl-, diacetate, [2.alpha.,3.beta.,4.alpha.,6.alpha.(2E,4E)]-
Alternate Name(s) (2E,4E)-6-[(2S,4R,5S,6R)-4,6-bis(acetyloxy)-5-methyloxan-2-yl]hexa-2,4-dien-1-yl acetate Peracetyl derivative of 2-(6-hydroxy-2,4-hexadienyl)-1-oxa-5-methyl-4,6-dihydroxycyclohexane
CAS Registry Number 81875-55-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O7
InChI InChI=1S/C18H26O7/c1-12-17(23-14(3)20)11-16(25-18(12)24-15(4)21)9-7-5-6-8-10-22-13(2)19/h5-8,12,16-18H,9-11H2,1-4H3/b7-5+,8-6+/t12-,16-,17+,18-/m0/s1
InChIKey CLPZJQYQJFYPHZ-RLYJMWJJSA-N
Molecular Weight 354.399 g/mol
SMILES [C@@]1([C@]([C@](OC(=O)C)(C[C@@](O1)(C\C=C\C=C\COC(=O)C)[H])[H])(C)[H])(OC(=O)C)[H]
SPLASH splash10-000x-9200000000-c6144ee5544a733eb2fe
Source of Spectrum C-104-4141-0
Wiley ID 1344444