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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-methoxy-17-[(4-methoxyphenyl)methyl-D]-
SpectraBase Compound ID DVcdddBd5Zz
InChI InChI=1S/C34H46N4O6/c1-24(39)36-16-5-6-17-37-18-7-15-35-33(41)23-31(38(25(2)40)20-8-19-36)27-11-14-32(44-4)29(22-27)30(34(37)42)21-26-9-12-28(43-3)13-10-26/h9-14,22,30-31H,5-8,15-21,23H2,1-4H3,(H,35,41)/i21D
InChIKey GZAUXLUSWZYTRU-KRLANHAZSA-N
Mol Weight 607.8 g/mol
Molecular Formula C34H452DN4O6
Exact Mass 607.348012 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LmvPHAnZMQv
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-methoxy-17-[(4-methoxyphenyl)methyl-D]-
CAS Registry Number 69721-84-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H45DN4O6
InChI InChI=1S/C34H46N4O6/c1-24(39)36-16-5-6-17-37-18-7-15-35-33(41)23-31(38(25(2)40)20-8-19-36)27-11-14-32(44-4)29(22-27)30(34(37)42)21-26-9-12-28(43-3)13-10-26/h9-14,22,30-31H,5-8,15-21,23H2,1-4H3,(H,35,41)/i21D
InChIKey GZAUXLUSWZYTRU-KRLANHAZSA-N
Molecular Weight 607.770 g/mol
SMILES N1CCCN2CCCCN(CCCN(C(CC1=O)c1cc(C(C2=O)C(c2ccc(cc2)OC)[2D])c(cc1)OC)C(=O)C)C(=O)C
SPLASH splash10-044i-1610090000-08fe9ae9732d8cbef9a1
Source of Spectrum H-61-2666-0
Synonyms N(6),N(10)-Diacetyl-O(16),O(34)-dimethyl-17-deuterio-16-hydro-16,17-seco-aphelandrine
Wiley ID 127679