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(-)-N-(tert-Butoxycarbonyl)eudistomin K
SpectraBase Compound ID Ehks5XnzEGl
InChI InChI=1S/C19H24BrN3O3S/c1-19(2,3)26-18(24)22-15-9-27-10-25-23-7-6-13-12-5-4-11(20)8-14(12)21-16(13)17(15)23/h4-5,8,15,17,21H,6-7,9-10H2,1-3H3,(H,22,24)/t15-,17+/m1/s1
InChIKey XMUXPAPZVGTHAR-WBVHZDCISA-N
Mol Weight 454.38 g/mol
Molecular Formula C19H24BrN3O3S
Exact Mass 453.072176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3N2TxgKTB2
Name (-)-N-(tert-Butoxycarbonyl)eudistomin K
Alternate Name(s) tert-Butyl (1S,13bS)-11-bromo-1,2,7,8,13,13b-hexahydro[1,6,2]oxathiazepino[2',3':1,2]pyrido[3,4-b]indol-1-ylcarbamate
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Formula C19H24BrN3O3S
InChI InChI=1S/C19H24BrN3O3S/c1-19(2,3)26-18(24)22-15-9-27-10-25-23-7-6-13-12-5-4-11(20)8-14(12)21-16(13)17(15)23/h4-5,8,15,17,21H,6-7,9-10H2,1-3H3,(H,22,24)/t15-,17+/m1/s1
InChIKey XMUXPAPZVGTHAR-WBVHZDCISA-N
Molecular Weight 454.383 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@]1([C@]2(c3c(CCN2OCSC1)c1ccc(cc1[nH]3)Br)[H])[H]
SPLASH splash10-03xr-0091000000-23b39e6d29a7379ef4e2
Source of Spectrum KC-0-3491-29
Wiley ID 831862