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1,6,10,22-Tetraazatricyclo[9.7.6.1(12,16)]pentacosa-12,14,16(25)-triene-18,23-dione, 6,10-diacetyl-15-hydroxy-17-[(4-methoxyphenyl)methyl]-
SpectraBase Compound ID C7AieSNNC70
InChI InChI=1S/C33H44N4O6/c1-23(38)35-15-4-5-16-36-17-6-14-34-32(41)22-30(37(24(2)39)19-7-18-35)26-10-13-31(40)28(21-26)29(33(36)42)20-25-8-11-27(43-3)12-9-25/h8-13,21,29-30,40H,4-7,14-20,22H2,1-3H3,(H,34,41)
InChIKey VPABZYTXXSPGML-UHFFFAOYSA-N
Mol Weight 592.7 g/mol
Molecular Formula C33H44N4O6
Exact Mass 592.326085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 60bwGlZCZsn
Name 1,6,10,22-Tetraazatricyclo[9.7.6.1(12,16)]pentacosa-12,14,16(25)-triene-18,23-dione, 6,10-diacetyl-15-hydroxy-17-[(4-methoxyphenyl)methyl]-
CAS Registry Number 69721-68-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H44N4O6
InChI InChI=1S/C33H44N4O6/c1-23(38)35-15-4-5-16-36-17-6-14-34-32(41)22-30(37(24(2)39)19-7-18-35)26-10-13-31(40)28(21-26)29(33(36)42)20-25-8-11-27(43-3)12-9-25/h8-13,21,29-30,40H,4-7,14-20,22H2,1-3H3,(H,34,41)
InChIKey VPABZYTXXSPGML-UHFFFAOYSA-N
Molecular Weight 592.737 g/mol
SMILES N1C(CC2N(CCCN(CCCCN(C(C(c3cc2ccc3O)Cc2ccc(cc2)OC)=O)CCC1)C(C)=O)C(C)=O)=O
SPLASH splash10-00di-1910000000-49edfdc4e141afa89ecd
Source of Spectrum H-61-2665-0
Synonyms N(6),N(10)-Diacetyl-O(34)-methyl-16,17-dihydro-16,17-seco-aphelandrine
Wiley ID 1409496