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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-methoxyphenyl)methyl]-, [11S-(11R*,17R*)]-
SpectraBase Compound ID 4vELbqQhpXy
InChI InChI=1S/C35H46N4O7/c1-24(40)37-16-5-6-17-38-18-7-15-36-34(43)23-32(39(25(2)41)20-8-19-37)28-11-14-33(46-26(3)42)30(22-28)31(35(38)44)21-27-9-12-29(45-4)13-10-27/h9-14,22,31-32H,5-8,15-21,23H2,1-4H3,(H,36,43)/t31-,32?/m0/s1
InChIKey YNYZSTRXIJPXEX-CYZZXXEPSA-N
Mol Weight 634.8 g/mol
Molecular Formula C35H46N4O7
Exact Mass 634.33665 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BO98Bcj0xdP
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-methoxyphenyl)methyl]-, [11S-(11R*,17R*)]-
CAS Registry Number 73745-71-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H46N4O7
InChI InChI=1S/C35H46N4O7/c1-24(40)37-16-5-6-17-38-18-7-15-36-34(43)23-32(39(25(2)41)20-8-19-37)28-11-14-33(46-26(3)42)30(22-28)31(35(38)44)21-27-9-12-29(45-4)13-10-27/h9-14,22,31-32H,5-8,15-21,23H2,1-4H3,(H,36,43)/t31-,32?/m0/s1
InChIKey YNYZSTRXIJPXEX-CYZZXXEPSA-N
Molecular Weight 634.774 g/mol
SMILES N1CCCN2CCCCN(CCCN(C(CC1=O)c1cc([C@@](C2=O)(Cc2ccc(cc2)OC)[H])c(cc1)OC(=O)C)C(=O)C)C(=O)C
SPLASH splash10-0ab9-2900000000-cbbe57735bf2eb993a37
Source of Spectrum H-62-2722-0
Synonyms (11S,17S)-6,10-diacetyl-17-(4-methoxybenzyl)-18,23-dioxo-1,6,10,22-tetraazatricyclo[9.7.6.1(12,16)]pentacosa-12(25),13,15-trien-15-yl acetate N(6),n(10),o(16)-triacetyl-o(34)-methyl-16,17-seco-orantin N,N',O-triacetyl-O'-methyl-16,17-secoorantine
Wiley ID 1412293