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6,7,38,39-Tetraacetoxy-41,42-bis(14-oxo-1-azacyclohexacosyl)-tricyclo[35.3.1.1(4,8)]dotetraconta-1(41),4,6,8(42),37,39-hexaen
SpectraBase Compound ID 6RPR4Cbwi4M
InChI InChI=1S/C100H170N2O10/c1-85(103)109-95-83-89-77-78-90-84-96(110-86(2)104)100(112-88(4)106)94(98(90)102-81-69-59-49-39-29-25-33-43-53-63-73-92(108)74-64-54-44-34-26-30-40-50-60-70-82-102)76-66-56-46-36-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-35-45-55-65-75-93(99(95)111-87(3)105)97(89)101-79-67-57-47-37-27-23-31-41-51-61-71-91(107)72-62-52-42-32-24-28-38-48-58-68-80-101/h83-84H,5-82H2,1-4H3
InChIKey LAPMOAJAPAGQKJ-UHFFFAOYSA-N
Mol Weight 1560.5 g/mol
Molecular Formula C100H170N2O10
Exact Mass 1559.28555 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AwuKqe8hos2
Name 6,7,38,39-Tetraacetoxy-41,42-bis(14-oxo-1-azacyclohexacosyl)-tricyclo[35.3.1.1(4,8)]dotetraconta-1(41),4,6,8(42),37,39-hexaen
Alternate Name(s) 7,38,39-tris(acetyloxy)-41,42-bis(14-oxo-1-azacyclohexacosan-1-yl)tricyclo[35.3.1.1(4,8)]dotetraconta-1(41),4,6,8(42),37,39-hexaen-6-yl acetate
CAS Registry Number 83274-58-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C100H170N2O10
InChI InChI=1S/C100H170N2O10/c1-85(103)109-95-83-89-77-78-90-84-96(110-86(2)104)100(112-88(4)106)94(98(90)102-81-69-59-49-39-29-25-33-43-53-63-73-92(108)74-64-54-44-34-26-30-40-50-60-70-82-102)76-66-56-46-36-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-35-45-55-65-75-93(99(95)111-87(3)105)97(89)101-79-67-57-47-37-27-23-31-41-51-61-71-91(107)72-62-52-42-32-24-28-38-48-58-68-80-101/h83-84H,5-82H2,1-4H3
InChIKey LAPMOAJAPAGQKJ-UHFFFAOYSA-N
Molecular Weight 1560.464 g/mol
SMILES c12c(c(cc(c2N2CCCCCCCCCCCCC(=O)CCCCCCCCCCCC2)CCc2c(c(CCCCCCCCCCCCCCCCCCCCCCCCCCCC1)c(c(c2)OC(=O)C)OC(=O)C)N1CCCCCCCCCCCCC(=O)CCCCCCCCCCCC1)OC(=O)C)OC(=O)C
SPLASH splash10-00kf-7009614200-479be9fd570264294f6c
Source of Spectrum W5-1989-12419-1
Wiley ID 1418851