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Cryptophycin-19
SpectraBase Compound ID JKpLfe3NUFB
InChI InChI=1S/C34H41ClN2O7/c1-21(2)31-34(41)43-28(22(3)14-15-24-10-7-6-8-11-24)12-9-13-30(38)37-27(32(39)36-20-23(4)33(40)44-31)19-25-16-17-29(42-5)26(35)18-25/h6-11,13-18,21-23,27-28,31H,12,19-20H2,1-5H3,(H,36,39)(H,37,38)/b13-9+,15-14+/t22?,23-,27-,28+,31+/m1/s1
InChIKey OVOJAAKFACTXHX-PYUMRQNDSA-N
Mol Weight 625.2 g/mol
Molecular Formula C34H41ClN2O7
Exact Mass 624.260229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EjPyRzIS44S
Name Cryptophycin-19
Alternate Name(s) (3S,6R,10R,16S)-10-(3-chloro-4-methoxybenzyl)-3-isopropyl-6-methyl-16-[(2E)-1-methyl-3-phenyl-2-propenyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
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Formula C34H41ClN2O7
InChI InChI=1S/C34H41ClN2O7/c1-21(2)31-34(41)43-28(22(3)14-15-24-10-7-6-8-11-24)12-9-13-30(38)37-27(32(39)36-20-23(4)33(40)44-31)19-25-16-17-29(42-5)26(35)18-25/h6-11,13-18,21-23,27-28,31H,12,19-20H2,1-5H3,(H,36,39)(H,37,38)/b13-9+,15-14+/t22?,23-,27-,28+,31+/m1/s1
InChIKey OVOJAAKFACTXHX-PYUMRQNDSA-N
Molecular Weight 625.162 g/mol
SMILES N1C[C@](C(O[C@](C(O[C@@](C\C=C\C(=O)N[C@@](C1=O)(Cc1cc(Cl)c(cc1)OC)[H])(C(\C=C\c1ccccc1)C)[H])=O)(C(C)C)[H])=O)(C)[H]
SPLASH splash10-002b-0594100000-70f2d0639505638c53f3
Source of Spectrum C-117-12044-24
Wiley ID 759265