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2-Methyl-4-(furan-3-yl)-16-acetoxy-5,12-dioxatetrahydron[8.7.0.0(2,7).0(10,14)]heptadecan-6,13-di-one isomer
SpectraBase Compound ID 616daOQK53Y
InChI InChI=1S/C22H26O7/c1-12(23)28-14-7-16-19(24)27-11-22(16)5-3-15-20(25)29-17(13-4-6-26-10-13)9-21(15,2)18(22)8-14/h4,6,10,14-18H,3,5,7-9,11H2,1-2H3/t14?,15-,16?,17-,18+,21+,22?/m0/s1
InChIKey BERQJMFQAXNKIS-STOZEZHESA-N
Mol Weight 402.44 g/mol
Molecular Formula C22H26O7
Exact Mass 402.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KiUj8UbEM7j
Name 2-Methyl-4-(furan-3-yl)-16-acetoxy-5,12-dioxatetrahydron[8.7.0.0(2,7).0(10,14)]heptadecan-6,13-di-one isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O7
InChI InChI=1S/C22H26O7/c1-12(23)28-14-7-16-19(24)27-11-22(16)5-3-15-20(25)29-17(13-4-6-26-10-13)9-21(15,2)18(22)8-14/h4,6,10,14-18H,3,5,7-9,11H2,1-2H3/t14?,15-,16?,17-,18+,21+,22?/m0/s1
InChIKey BERQJMFQAXNKIS-STOZEZHESA-N
Molecular Weight 402.443 g/mol
SMILES [C@]12([C@@]3(C4(C(C(=O)OC4)CC(C3)OC(=O)C)CC[C@]2(C(O[C@@](C1)(c1cocc1)[H])=O)[H])[H])C
SPLASH splash10-0006-9420300000-6b68de3be0e641002158
Source of Spectrum F-65-1713-21
Synonyms 2-Methyl-4-(furan-3-yl)-16-acetoxy-5,12-dioxatetrahydron[8.7.0.0(2,7).0(10,14)]heptadecan-6,13-dione
Wiley ID 1681758