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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, [3R-(3R*,3aR*,15S*)]-
SpectraBase Compound ID DR3nvE5Tt2P
InChI InChI=1S/C41H50N4O8/c1-28(46)43-21-8-9-22-44(23-10-20-42-40(49)31-12-6-5-7-13-31)41(50)38-34-26-32(35(27-37(48)52-4)45(29(2)47)25-11-24-43)16-19-36(34)53-39(38)30-14-17-33(51-3)18-15-30/h5-7,12-19,26,35,38-39H,8-11,20-25,27H2,1-4H3,(H,42,49)/t35-,38+,39-/m0/s1
InChIKey SSQZSTUNIZTJCD-VGSIRZLKSA-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 8Td1L3V2I5k
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, [3R-(3R*,3aR*,15S*)]-
CAS Registry Number 73745-73-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H50N4O8
InChI InChI=1S/C41H50N4O8/c1-28(46)43-21-8-9-22-44(23-10-20-42-40(49)31-12-6-5-7-13-31)41(50)38-34-26-32(35(27-37(48)52-4)45(29(2)47)25-11-24-43)16-19-36(34)53-39(38)30-14-17-33(51-3)18-15-30/h5-7,12-19,26,35,38-39H,8-11,20-25,27H2,1-4H3,(H,42,49)/t35-,38+,39-/m0/s1
InChIKey SSQZSTUNIZTJCD-VGSIRZLKSA-N
Molecular Weight 726.871 g/mol
SMILES N(C(=O)c1ccccc1)CCCN1C([C@@]2(c3c(ccc([C@@](N(C(=O)C)CCCN(CCCC1)C(=O)C)(CC(=O)OC)[H])c3)O[C@]2(c1ccc(cc1)OC)[H])[H])=O
SPLASH splash10-0btl-3897000000-0eaf0a28e16830d25cdb
Source of Spectrum H-62-2723-0
Synonyms Methyl[(1R,13S,19R)-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-seco-orantin N,N'-diacetyl-N''-benzoyl-24-methoxy-O-methyl-23,24-secoorantine N,N'-Diacetyl-N''-benzoyl-24-methoxy-O-methyl-23,24-secoorantine
Wiley ID 1415811