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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-D]-
SpectraBase Compound ID 2usRLBi0xtM
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)/i21D
InChIKey VLIZEJIFCKHWFR-KRLANHAZSA-N
Mol Weight 663.8 g/mol
Molecular Formula C36H452DN4O8
Exact Mass 663.337841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Zxjgx8T26X
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-D]-
Alternate Name(s) N(6),N(10)-Diacetyl-O(34)-methyl-17-deuterio-16-hydro-16,17-seco-aphelandrine
CAS Registry Number 69721-83-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H45DN4O8
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)/i21D
InChIKey VLIZEJIFCKHWFR-KRLANHAZSA-N
Molecular Weight 663.790 g/mol
SMILES N1CCCN2CCCCN(CCCN(C(CC1=O)c1cc(C(C2=O)C(c2ccc(OC(=O)C)cc2)[2D])c(cc1)OC(=O)C)C(=O)C)C(=O)C
SPLASH splash10-0ab9-3920001000-b6d17eef963f46e40447
Source of Spectrum H-61-2665-0
Wiley ID 128163