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3,7,12-Triazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-2-acetic acid, 3,7-diacetyl-12-[3-(benzoylamino)propyl]-16-methoxy-14-[(4-methoxyphenyl)methyl]-13-oxo-, methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3,7,12-Triazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-2-acetic acid, 3,7-diacetyl-12-[3-(benzoylamino)propyl]-16-methoxy-14-[(4-methoxyphenyl)methyl]-13-oxo-, methyl ester
SpectraBase Compound ID FvSu7I3MoQf
InChI InChI=1S/C42H54N4O8/c1-30(47)44-22-9-10-23-45(24-11-21-43-41(50)33-13-7-6-8-14-33)42(51)37(27-32-15-18-35(52-3)19-16-32)36-28-34(17-20-39(36)53-4)38(29-40(49)54-5)46(31(2)48)26-12-25-44/h6-8,13-20,28,37-38H,9-12,21-27,29H2,1-5H3,(H,43,50)
InChIKey HJGZPQCAPAPMQL-UHFFFAOYSA-N
Mol Weight 742.9 g/mol
Molecular Formula C42H54N4O8
Exact Mass 742.394165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LEDozpCedpN
Name 3,7,12-Triazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-2-acetic acid, 3,7-diacetyl-12-[3-(benzoylamino)propyl]-16-methoxy-14-[(4-methoxyphenyl)methyl]-13-oxo-, methyl ester
CAS Registry Number 69721-74-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H54N4O8
InChI InChI=1S/C42H54N4O8/c1-30(47)44-22-9-10-23-45(24-11-21-43-41(50)33-13-7-6-8-14-33)42(51)37(27-32-15-18-35(52-3)19-16-32)36-28-34(17-20-39(36)53-4)38(29-40(49)54-5)46(31(2)48)26-12-25-44/h6-8,13-20,28,37-38H,9-12,21-27,29H2,1-5H3,(H,43,50)
InChIKey HJGZPQCAPAPMQL-UHFFFAOYSA-N
Molecular Weight 742.914 g/mol
SMILES N(CCCN1CCCCN(CCCN(C(CC(=O)OC)c2ccc(c(c2)C(Cc2ccc(cc2)OC)C1=O)OC)C(C)=O)C(C)=O)C(c1ccccc1)=O
SPLASH splash10-074l-2910000000-dfbec3c43247aeeaaa46
Source of Spectrum H-61-2669-0
Synonyms Methyl [3,7-diacetyl-12-[3-(benzoylamino)propyl]-16-methoxy-14-(4-methoxybenzyl)-13-oxo-3,7,12-triazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-2-yl]acetate 2-[3,7-diacetyl-12-(3-benzamidopropyl)-13-keto-16-methoxy-14-p-anisyl-3,7,12-triazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-2-yl]acetic acid methyl ester 2-[3,7-diacetyl-12-(3-benzamidopropyl)-16-methoxy-14-[(4-methoxyphenyl)methyl]-13-oxo-3,7,12-triazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-2-yl]acetic acid methyl ester Methyl 2-[12-(3-benzamidopropyl)-3,7-diethanoyl-16-methoxy-14-[(4-methoxyphenyl)methyl]-13-oxidanylidene-3,7,12-triazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-2-yl]ethanoate Methyl 2-[3,7-diacetyl-12-(3-benzamidopropyl)-16-methoxy-14-[(4-methoxyphenyl)methyl]-13-oxo-3,7,12-triazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-2-yl]acetate N(6),N(10)-Diacetyl-N(23)-benzoyl-24-methoxy-O(16),O(34)-dimethyl-16,17,23,24-tetrahydro-16,17-seco-23,24-seco-aphelandrine
Wiley ID 1416161