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34,38-Dioxo-35,37-dimethoxy-36-(phenylmethoy)-10,15,20,31-tetramethyl-3,7,23,27-tetraazaheptacyclo(27.3.1.1.1.1.1.1)octaconta-1(33),8(35),9,11,13(36),14,16,18(37),19,21,29,31-dodecaen-33-ol
SpectraBase Compound ID 7D1WYyDA6YK
InChI InChI=1S/C47H50N4O6/c1-29-18-34-26-48-14-10-16-50(46(48)53)40-24-31(3)22-38(44(40)55-5)36-20-30(2)21-37(43(36)57-28-33-12-8-7-9-13-33)39-23-32(4)25-41(45(39)56-6)51-17-11-15-49(47(51)54)27-35(19-29)42(34)52/h7-9,12-13,18-25,52H,10-11,14-17,26-28H2,1-6H3
InChIKey OWLFOGDTVIBUMP-UHFFFAOYSA-N
Mol Weight 766.9 g/mol
Molecular Formula C47H50N4O6
Exact Mass 766.373035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DHf42UmRkfQ
Name 34,38-Dioxo-35,37-dimethoxy-36-(phenylmethoy)-10,15,20,31-tetramethyl-3,7,23,27-tetraazaheptacyclo(27.3.1.1.1.1.1.1)octaconta-1(33),8(35),9,11,13(36),14,16,18(37),19,21,29,31-dodecaen-33-ol
CAS Registry Number 84379-22-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C47H50N4O6
InChI InChI=1S/C47H50N4O6/c1-29-18-34-26-48-14-10-16-50(46(48)53)40-24-31(3)22-38(44(40)55-5)36-20-30(2)21-37(43(36)57-28-33-12-8-7-9-13-33)39-23-32(4)25-41(45(39)56-6)51-17-11-15-49(47(51)54)27-35(19-29)42(34)52/h7-9,12-13,18-25,52H,10-11,14-17,26-28H2,1-6H3
InChIKey OWLFOGDTVIBUMP-UHFFFAOYSA-N
Molecular Weight 766.939 g/mol
SMILES Oc1c2CN3C(N(c4cc(cc(-c5c(c(-c6c(c(N7C(N(Cc1cc(c2)C)CCC7)=O)cc(c6)C)OC)cc(c5)C)OCc1ccccc1)c4OC)C)CCC3)=O
SPLASH splash10-000i-0000000900-de73e977130d49eb03f9
Source of Spectrum C-106-7163-0
Synonyms 37-(benzyloxy)-34-hydroxy-36,38-dimethoxy-4,9,14,25-tetramethyl-1,17,21,29-tetraazaheptacyclo[27.3.1.1(2,6).1(7,11).1(12,16).1(17,21).1(23,27)]octatriaconta-2(38),3,5,7(37),8,10,12(36),13,15,23(34),24,26-dodecaene-33,35-dione
Wiley ID 1416656