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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]-, [11S-(11R*,17R*)]-
SpectraBase Compound ID JT3j1kHPNkt
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)/t30-,31?/m0/s1
InChIKey GZAUXLUSWZYTRU-FSRLHOSWSA-N
Mol Weight 606.8 g/mol
Molecular Formula C34H46N4O6
Exact Mass 606.341735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8CHbQU0YosK
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]-, [11S-(11R*,17R*)]-
CAS Registry Number 73745-70-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H46N4O6
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)/t30-,31?/m0/s1
InChIKey GZAUXLUSWZYTRU-FSRLHOSWSA-N
Molecular Weight 606.764 g/mol
SMILES N1CCCN2CCCCN(CCCN(C(CC1=O)c1cc([C@@](C2=O)(Cc2ccc(cc2)OC)[H])c(cc1)OC)C(=O)C)C(=O)C
SPLASH splash10-00di-6920021000-63a7b9c8c8ebbf77b756
Source of Spectrum H-62-2721-0
Synonyms (11S,17S)-6,10-diacetyl-15-methoxy-17-(4-methoxybenzyl)-1,6,10,22-tetraazatricyclo[9.7.6.1(12,16)]pentacosa-12(25),13,15-triene-18,23-dione N(6),n(10)-diacetyl-o(16),o(34)-dimethyl-16,17-seco-orantin N,N'-diacetyl-O,O'-dimethyl-16,17-secoorantine
Wiley ID 1410609