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(E)-(3S,6R,10R,16S)-10-(3,5-Dichloro-4-hydroxy-benzyl)-3-isobutyl-6-methyl-16-[(S)-1-((2R,3R)-3-phenyl-oxiranyl)-ethyl]-1,4-dioxa-8,11-diaza-cyclohexadec-13-ene-2,5,9,12-tetraone

View entire compound with spectra: 1 MS (GC)

(E)-(3S,6R,10R,16S)-10-(3,5-Dichloro-4-hydroxy-benzyl)-3-isobutyl-6-methyl-16-[(S)-1-((2R,3R)-3-phenyl-oxiranyl)-ethyl]-1,4-dioxa-8,11-diaza-cyclohexadec-13-ene-2,5,9,12-tetraone
SpectraBase Compound ID D9h9DawWNTh
InChI InChI=1S/C34H40Cl2N2O8/c1-18(2)13-27-34(43)44-26(20(4)30-31(46-30)22-9-6-5-7-10-22)11-8-12-28(39)38-25(32(41)37-17-19(3)33(42)45-27)16-21-14-23(35)29(40)24(36)15-21/h5-10,12,14-15,18-20,25-27,30-31,40H,11,13,16-17H2,1-4H3,(H,37,41)(H,38,39)/b12-8+/t19-,20+,25-,26+,27+,30-,31-/m1/s1
InChIKey WNKVYYZASJQZMX-YFBMXWBHSA-N
Mol Weight 675.6 g/mol
Molecular Formula C34H40Cl2N2O8
Exact Mass 674.216172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9aZrgICBilk
Name (E)-(3S,6R,10R,16S)-10-(3,5-Dichloro-4-hydroxy-benzyl)-3-isobutyl-6-methyl-16-[(S)-1-((2R,3R)-3-phenyl-oxiranyl)-ethyl]-1,4-dioxa-8,11-diaza-cyclohexadec-13-ene-2,5,9,12-tetraone
Alternate Name(s) Cryptophycin-23 (3S,6R,10R,13E,16S)-10-[(3,5-dichloro-4-hydroxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyl-2-oxiranyl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone (3S,6R,10R,13E,16S)-10-[(3,5-dichloro-4-hydroxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone (3S,6R,10R,13E,16S)-10-[(3,5-dichloro-4-hydroxy-phenyl)methyl]-3-isobutyl-6-methyl-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone (3S,6R,10R,13E,16S)-10-[[3,5-bis(chloranyl)-4-oxidanyl-phenyl]methyl]-6-methyl-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
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Formula C34H40Cl2N2O8
InChI InChI=1S/C34H40Cl2N2O8/c1-18(2)13-27-34(43)44-26(20(4)30-31(46-30)22-9-6-5-7-10-22)11-8-12-28(39)38-25(32(41)37-17-19(3)33(42)45-27)16-21-14-23(35)29(40)24(36)15-21/h5-10,12,14-15,18-20,25-27,30-31,40H,11,13,16-17H2,1-4H3,(H,37,41)(H,38,39)/b12-8+/t19-,20+,25-,26+,27+,30-,31-/m1/s1
InChIKey WNKVYYZASJQZMX-YFBMXWBHSA-N
Molecular Weight 675.606 g/mol
SMILES N1C[C@](C(O[C@](C(O[C@@](C\C=C\C(N[C@](Cc2cc(c(c(c2)Cl)O)Cl)(C1=O)[H])=O)([C@@]([C@]1(O[C@@]1(c1ccccc1)[H])[H])(C)[H])[H])=O)(CC(C)C)[H])=O)(C)[H]
SPLASH splash10-004l-0592106000-9c1059b4586bd83b7072
Source of Spectrum C-117-12042-13
Wiley ID 1698270