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Benzamide, N-[3-[10,14-diacetyl-15-[2-(acetyloxy)ethyl]-3a,4,6,7,8,9,10,11,12,13,14,15-dodecahydro-3-(4-methoxyphenyl)-4-oxo-1,16-ethenofuro[3,4-l][1,5,10]triazacyclohexadecin-5(3H)-yl]propyl]-
SpectraBase Compound ID 9MKdNtqEcyW
InChI InChI=1S/C42H52N4O8/c1-29(47)44-22-8-9-23-45(24-10-21-43-41(50)33-12-6-5-7-13-33)42(51)39-36-28-34(37(20-27-53-31(3)49)46(30(2)48)26-11-25-44)16-19-38(36)54-40(39)32-14-17-35(52-4)18-15-32/h5-7,12-19,28,37,39-40H,8-11,20-27H2,1-4H3,(H,43,50)
InChIKey QSXZFDWDBHLNAK-UHFFFAOYSA-N
Mol Weight 740.9 g/mol
Molecular Formula C42H52N4O8
Exact Mass 740.378515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7BWdyJOam6j
Name Benzamide, N-[3-[10,14-diacetyl-15-[2-(acetyloxy)ethyl]-3a,4,6,7,8,9,10,11,12,13,14,15-dodecahydro-3-(4-methoxyphenyl)-4-oxo-1,16-ethenofuro[3,4-l][1,5,10]triazacyclohexadecin-5(3H)-yl]propyl]-
CAS Registry Number 69721-77-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H52N4O8
InChI InChI=1S/C42H52N4O8/c1-29(47)44-22-8-9-23-45(24-10-21-43-41(50)33-12-6-5-7-13-33)42(51)39-36-28-34(37(20-27-53-31(3)49)46(30(2)48)26-11-25-44)16-19-38(36)54-40(39)32-14-17-35(52-4)18-15-32/h5-7,12-19,28,37,39-40H,8-11,20-27H2,1-4H3,(H,43,50)
InChIKey QSXZFDWDBHLNAK-UHFFFAOYSA-N
Molecular Weight 740.898 g/mol
SMILES N(CCCN1CCCCN(CCCN(C(CCOC(C)=O)c2ccc3c(c2)C(C(c2ccc(cc2)OC)O3)C1=O)C(C)=O)C(C)=O)C(c1ccccc1)=O
SPLASH splash10-0r7i-5931001000-a844410560a8189bead7
Source of Spectrum H-61-2670-0
Synonyms 1,16-Ethenofuro[3,4-l][1,5,10]triazacyclohexadecine, benzamide deriv. 24-Acetoxy-N(6),N(10)-diacetyl-N(23)-benzoyl-24-deoxo-O(34)-methyl-23,24-dihydro-23,24-secoaphelandrine
Wiley ID 1416101