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1,16-Ethenofuro[3,4-l][1,5,10]triazacyclohexadecine-15-acetic acid, 10,14-diacetyl-5-[3-(benzoylamino)propyl]-3,3a,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-3-(4-methoxyphenyl)-4-oxo-, methyl ester
SpectraBase Compound ID wH6fG4GpJM
InChI InChI=1S/C41H50N4O8/c1-27(46)34-13-8-24-45(28(2)47)35(26-37(48)52-4)31-16-19-36-33(25-31)38(39(53-36)29-14-17-32(51-3)18-15-29)41(50)44(22-9-20-42-34)23-10-21-43-40(49)30-11-6-5-7-12-30/h5-7,11-12,14-19,25,34-35,38-39,42H,8-10,13,20-24,26H2,1-4H3,(H,43,49)/t34?,35-,38-,39+/m1/s1
InChIKey IDRFTQDXFHFKJU-JMBKCNJPSA-N
Mol Weight 726.9 g/mol
Molecular Formula C41H50N4O8
Exact Mass 726.362865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6KB0w8Wp7s6
Name 1,16-Ethenofuro[3,4-l][1,5,10]triazacyclohexadecine-15-acetic acid, 10,14-diacetyl-5-[3-(benzoylamino)propyl]-3,3a,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-3-(4-methoxyphenyl)-4-oxo-, methyl ester
CAS Registry Number 69721-75-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H50N4O8
InChI InChI=1S/C41H50N4O8/c1-27(46)34-13-8-24-45(28(2)47)35(26-37(48)52-4)31-16-19-36-33(25-31)38(39(53-36)29-14-17-32(51-3)18-15-29)41(50)44(22-9-20-42-34)23-10-21-43-40(49)30-11-6-5-7-12-30/h5-7,11-12,14-19,25,34-35,38-39,42H,8-10,13,20-24,26H2,1-4H3,(H,43,49)/t34?,35-,38-,39+/m1/s1
InChIKey IDRFTQDXFHFKJU-JMBKCNJPSA-N
Molecular Weight 726.871 g/mol
SMILES N1C(CCCN([C@@](c2ccc3c([C@@](C(N(CCCNC(=O)c4ccccc4)CCC1)=O)([C@@](O3)(c1ccc(cc1)OC)[H])[H])c2)(CC(=O)OC)[H])C(=O)C)C(=O)C
SPLASH splash10-052r-2917000000-e16052c09c5eceaefd6d
Source of Spectrum H-61-2669-0
Synonyms 1,16-Ethenofuro[3,4-l][1,5,10]triazacyclohexadecine-15-acetic acid, 10,14-diacetyl-5-[3-(benzoylamino)propyl]-3,3a,4,5,6,7,8,9,10,11,12,13,14,15 Methyl[8,12-diacetyl-3-[3-(benzoylamino)propyl]-19-(4-methoxyphenyl)-2-oxo-18-oxa-3,8,12-triazatricyclo[12.5.2.0(17,20)]henicosa-14,16,20-trien-13-yl]acetate N(6),n(10)-diacetyl-n(23)-benzoyl-24-methoxy-o(34)-methyl-23,24-dihydro-23,24-secoaphelandrine
Wiley ID 1415810