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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-(acetyloxy)-17-[[4-(acetyloxy)phenyl]methyl]-
SpectraBase Compound ID 1ZSyJPCKQGJ
InChI InChI=1S/C36H46N4O8/c1-24(41)38-16-5-6-17-39-18-7-15-37-35(45)23-33(40(25(2)42)20-8-19-38)29-11-14-34(48-27(4)44)31(22-29)32(36(39)46)21-28-9-12-30(13-10-28)47-26(3)43/h9-14,22,32-33H,5-8,15-21,23H2,1-4H3,(H,37,45)
InChIKey VLIZEJIFCKHWFR-UHFFFAOYSA-N
Mol Weight 662.8 g/mol
Molecular Formula C36H46N4O8
Exact Mass 662.331564 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JhrnCWjVTQN
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-(acetyloxy)-17-[[4-(acetyloxy)phenyl]methyl]-
Alternate Name(s) N(6),N(10),O(16),O(34)-Tetaacetyl-16,17-dihydro-16,17-seco-aphelandrine
CAS Registry Number 69721-67-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H46N4O8
InChI InChI=1S/C36H46N4O8/c1-24(41)38-16-5-6-17-39-18-7-15-37-35(45)23-33(40(25(2)42)20-8-19-38)29-11-14-34(48-27(4)44)31(22-29)32(36(39)46)21-28-9-12-30(13-10-28)47-26(3)43/h9-14,22,32-33H,5-8,15-21,23H2,1-4H3,(H,37,45)
InChIKey VLIZEJIFCKHWFR-UHFFFAOYSA-N
Molecular Weight 662.784 g/mol
SMILES N1C(CC2N(CCCN(CCCCN(CCC1)C(C(c1c(ccc2c1)OC(C)=O)Cc1ccc(cc1)OC(C)=O)=O)C(C)=O)C(C)=O)=O
SPLASH splash10-0a4i-2910001000-39d68860db4df27c05d5
Source of Spectrum H-61-2665-0
Wiley ID 1413645