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(2S,1S,3S,8R,9R)-6,11-Diphenyl-2-[N'-(1,1-di(methoxycarbonyl)-3-methylbut-2-yl)amino]-2-aza-5,7,10,12-tetraoxatricyclo[7.4.0.0(3,8)]tridecane
SpectraBase Compound ID CilOXZ78KaS
InChI InChI=1S/C29H36N2O8/c1-17(2)23(22(26(32)34-3)27(33)35-4)30-31-20-15-36-28(18-11-7-5-8-12-18)38-24(20)25-21(31)16-37-29(39-25)19-13-9-6-10-14-19/h5-14,17,20-25,28-30H,15-16H2,1-4H3/t20-,21-,23-,24+,25+,28?,29?/m0/s1
InChIKey TZAZFSLGTZENJO-XINKOUKNSA-N
Mol Weight 540.6 g/mol
Molecular Formula C29H36N2O8
Exact Mass 540.247166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AqQbEHBAVTR
Name (2S,1S,3S,8R,9R)-6,11-Diphenyl-2-[N'-(1,1-di(methoxycarbonyl)-3-methylbut-2-yl)amino]-2-aza-5,7,10,12-tetraoxatricyclo[7.4.0.0(3,8)]tridecane
Alternate Name(s) (2S)-6,11-Diphenyl-2-[N'-(2,2-di(methoxycarbonyl)-3-methylbut-2-yl)amino]-2-aza-5,7,10,12-tetraoxatricyclo[7.4.0.0(3,8)]tridecane Dimethyl 2-((1S)-1-{[(4aS,5aS,9aR,9bR)-2,8-diphenylhexahydro-5H-di[1,3]dioxino[5,4-b:4,5-d]pyrrol-5-yl]amino}-2-methylpropyl)malonate
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Formula C29H36N2O8
InChI InChI=1S/C29H36N2O8/c1-17(2)23(22(26(32)34-3)27(33)35-4)30-31-20-15-36-28(18-11-7-5-8-12-18)38-24(20)25-21(31)16-37-29(39-25)19-13-9-6-10-14-19/h5-14,17,20-25,28-30H,15-16H2,1-4H3/t20-,21-,23-,24+,25+,28?,29?/m0/s1
InChIKey TZAZFSLGTZENJO-XINKOUKNSA-N
Molecular Weight 540.613 g/mol
SMILES N(N1[C@@]2([C@@](OC(c3ccccc3)OC2)([C@]2([C@@]1(COC(O2)c1ccccc1)[H])[H])[H])[H])[C@](C(C(=O)OC)C(=O)OC)(C(C)C)[H]
SPLASH splash10-052b-0900710000-711d96795ca09d723a09
Source of Spectrum KC-61-4612-12
Wiley ID 1629059