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(5S,9S,11R,13R,15S,19S,Z)-2-phenyl-7,8,11,12,13,14,16,17-octahydro-1H,5H,10H,19H-9,13:9,15:11,15-trimethano-5,18:6,19-di(metheno)[1,2,4]triazolo[1,2-a][1,2]diazacycloheptadecine-1,3(2H)-dione
SpectraBase Compound ID 44zjCzR1ccx
InChI InChI=1S/C28H31N3O2/c32-25-29(22-4-2-1-3-5-22)26(33)31-24-11-20-6-8-27-13-18-10-19(14-27)16-28(15-18,17-27)9-7-21(24)12-23(20)30(25)31/h1-5,11-12,18-19,23-24H,6-10,13-17H2/t18-,19+,23-,24-,27-,28+/m1/s1
InChIKey FBRNJFOMRSMMSI-BZXUQKRASA-N
Mol Weight 441.58 g/mol
Molecular Formula C28H31N3O2
Exact Mass 441.241627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FnnqT8w9H7p
Name (5S,9S,11R,13R,15S,19S,Z)-2-phenyl-7,8,11,12,13,14,16,17-octahydro-1H,5H,10H,19H-9,13:9,15:11,15-trimethano-5,18:6,19-di(metheno)[1,2,4]triazolo[1,2-a][1,2]diazacycloheptadecine-1,3(2H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H31N3O2
InChI InChI=1S/C28H31N3O2/c32-25-29(22-4-2-1-3-5-22)26(33)31-24-11-20-6-8-27-13-18-10-19(14-27)16-28(15-18,17-27)9-7-21(24)12-23(20)30(25)31/h1-5,11-12,18-19,23-24H,6-10,13-17H2/t18-,19+,23-,24-,27-,28+/m1/s1
InChIKey FBRNJFOMRSMMSI-BZXUQKRASA-N
Literature Reference DOI 10.1002/cber.19941270628
Molecular Weight 441.575 g/mol
SMILES [C@]123C[C@@]4(C[C@](C3)(C[C@](C1)(C4)[H])CCC=1[C@]3(C=C([C@](N4N3C(N(C4=O)c3ccccc3)=O)(C1)[H])CC2)[H])[H]
SPLASH splash10-0udi-0910000000-1a1578c22dd02aa7b86e
Source of Spectrum K-127-1154-9
Wiley ID 1792356