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13,16,19-Trioxa-27-azatetracyclo[19.3.1.12,6.17,11]heptacosa-1(25),2,4,6(27),7,9,11(26),21,23-nonaene, 25,26-dimethoxy-9,23-dimethyl-, 27-oxide

View entire compound with spectra: 1 MS (GC)

13,16,19-Trioxa-27-azatetracyclo[19.3.1.12,6.17,11]heptacosa-1(25),2,4,6(27),7,9,11(26),21,23-nonaene, 25,26-dimethoxy-9,23-dimethyl-, 27-oxide
SpectraBase Compound ID 8GXLN7n98kE
InChI InChI=1S/C27H31NO6/c1-18-12-20-16-33-10-8-32-9-11-34-17-21-13-19(2)15-23(27(21)31-4)25-7-5-6-24(28(25)29)22(14-18)26(20)30-3/h5-7,12-15H,8-11,16-17H2,1-4H3
InChIKey PJNAJUHVIYTZNT-UHFFFAOYSA-N
Mol Weight 465.55 g/mol
Molecular Formula C27H31NO6
Exact Mass 465.215138 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L7QtP2XYs7i
Name 13,16,19-Trioxa-27-azatetracyclo[19.3.1.12,6.17,11]heptacosa-1(25),2,4,6(27),7,9,11(26),21,23-nonaene, 25,26-dimethoxy-9,23-dimethyl-, 27-oxide
CAS Registry Number 128731-14-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H31NO6
InChI InChI=1S/C27H31NO6/c1-18-12-20-16-33-10-8-32-9-11-34-17-21-13-19(2)15-23(27(21)31-4)25-7-5-6-24(28(25)29)22(14-18)26(20)30-3/h5-7,12-15H,8-11,16-17H2,1-4H3
InChIKey PJNAJUHVIYTZNT-UHFFFAOYSA-N
Molecular Weight 465.546 g/mol
SMILES c1-2[n+](c(-c3c(c(COCCOCCOCc4c(c2cc(c4)C)OC)cc(c3)C)OC)ccc1)[O-]
SPLASH splash10-001i-0000900000-82e7d168a1bb2b4af045
Source of Spectrum J-55-4633-4
Synonyms 25,26-dimethoxy-9,23-dimethyl-13,16,19-trioxa-27-azatetracyclo[19.3.1.1(2,6).1(7,11)]heptacosa-1(25),2(27),3,5,7(26),8,10,21,23-nonaene 27-oxide 25,26-Dimethoxy-9,23-dimethyl-13,16,19-trioxa-27-azatetracyclo[19.3.1.1(2,6).1(7,11)]heptacosa-1(25),2,4,6(27),7,9,11-(26),21,23-nonaene 27-oxide
Wiley ID 1391750