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N(6),N(10)-Diacetyl-N(23)-benzoyl-24-methoxy-O(34)-methyl-23,24-dihydro-23,24-seco-aphelandrine
SpectraBase Compound ID GRHhnRQP8eo
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-XMCFPTSRSA-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 AdwBMEkUX2l
Name N(6),N(10)-Diacetyl-N(23)-benzoyl-24-methoxy-O(34)-methyl-23,24-dihydro-23,24-seco-aphelandrine
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-XMCFPTSRSA-N
Literature Reference DOI 10.1002/hlca.19780610735
Molecular Weight 726.871 g/mol
SMILES N(CCCN1CCCCN(CCCN([C@](c2cc3c(O[C@@]([C@]3(C1=O)[H])(c1ccc(OC)cc1)[H])cc2)(CC(OC)=O)[H])C(C)=O)C(C)=O)C(c1ccccc1)=O
SPLASH splash10-052r-2917000000-9edd8e8e31cb76a1e59d
Source of Spectrum H-61-2669-35
Synonyms Methyl 2-((3S,3aS,15S)-10,14-diacetyl-5-(3-benzamidopropyl)-3-(4-methoxyphenyl)-4-oxo-3,3a,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1,16-ethenofuro[3,4-l][1,5,10]triazacyclohexadecin-15-yl)acetate
Wiley ID 1797401