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Azacyclohexacosan-14-one, 1-acetyl-, catena compd. with bicyclo[25.3.1]hentriaconta-1(31),27,29-triene-28,29,31-triyl triacetate (1:1)
SpectraBase Compound ID A8JEmKbTmwp
InChI InChI=1S/C37H60O6.C27H51NO2/c1-30(38)41-35-29-33-27-25-23-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24-26-28-34(36(33)42-31(2)39)37(35)43-32(3)40;1-26(29)28-24-20-16-12-8-4-2-6-10-14-18-22-27(30)23-19-15-11-7-3-5-9-13-17-21-25-28/h29H,4-28H2,1-3H3;2-25H2,1H3
InChIKey RGSQYWAQDLQVQT-UHFFFAOYSA-N
Mol Weight 1022.6 g/mol
Molecular Formula C64H111NO8
Exact Mass 1021.83097 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BGpzHLj3lV2
Name Azacyclohexacosan-14-one, 1-acetyl-, catena compd. with bicyclo[25.3.1]hentriaconta-1(31),27,29-triene-28,29,31-triyl triacetate (1:1)
CAS Registry Number 17368-53-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C64H111NO8
InChI InChI=1S/C37H60O6.C27H51NO2/c1-30(38)41-35-29-33-27-25-23-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24-26-28-34(36(33)42-31(2)39)37(35)43-32(3)40;1-26(29)28-24-20-16-12-8-4-2-6-10-14-18-22-27(30)23-19-15-11-7-3-5-9-13-17-21-25-28/h29H,4-28H2,1-3H3;2-25H2,1H3
InChIKey RGSQYWAQDLQVQT-UHFFFAOYSA-N
Molecular Weight 1022.591 g/mol
SMILES C(N1CCCCCCCCCCCCC(=O)CCCCCCCCCCCC1)(=O)C.c12c(c(OC(=O)C)cc(c2OC(=O)C)CCCCCCCCCCCCCCCCCCCCCCCCC1)OC(=O)C
SPLASH splash10-006t-5412400095-854a4d8b0643e42f5830
Source of Spectrum T-67-5336-0
Synonyms 1-Acetyl-1-azacyclohexacosan-14-one; 29,30-bis(acetyloxy)bicyclo[25.3.1]hentriaconta-1(31),27,29-trien-31-yl acetate 2,4,5-Triacetoxy-1,3-pentacosamethylenebenzene and 14-(N-acetyl)-aza-cyclohexacosan-1-one catena compound Azacyclohexacosan-14-one, 1-acetyl-, catena compd. with bicyclo[25.3.1]hentriaconta-1(31),27,29-triene-28,29,31-triol triacetate (1:1)
Wiley ID 1418446