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Cryptophycin-101
SpectraBase Compound ID 71o42j7uKVM
InChI InChI=1S/C35H43ClN2O8/c1-6-20(2)30-35(42)44-27(22(4)31-32(45-31)24-11-8-7-9-12-24)13-10-14-29(39)38-26(33(40)37-19-21(3)34(41)46-30)18-23-15-16-28(43-5)25(36)17-23/h7-12,14-17,20-22,26-27,30-32H,6,13,18-19H2,1-5H3,(H,37,40)(H,38,39)/b14-10+/t20-,21?,22-,26+,27-,30-,31-,32-/m0/s1
InChIKey LFFZZUVEDYUSEH-BGDGLMOHSA-N
Mol Weight 655.2 g/mol
Molecular Formula C35H43ClN2O8
Exact Mass 654.270794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IIU4gfBAbPp
Name Cryptophycin-101
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H43ClN2O8
InChI InChI=1S/C35H43ClN2O8/c1-6-20(2)30-35(42)44-27(22(4)31-32(45-31)24-11-8-7-9-12-24)13-10-14-29(39)38-26(33(40)37-19-21(3)34(41)46-30)18-23-15-16-28(43-5)25(36)17-23/h7-12,14-17,20-22,26-27,30-32H,6,13,18-19H2,1-5H3,(H,37,40)(H,38,39)/b14-10+/t20-,21?,22-,26+,27-,30-,31-,32-/m0/s1
InChIKey LFFZZUVEDYUSEH-BGDGLMOHSA-N
Molecular Weight 655.188 g/mol
SMILES N1CC(C(O[C@](C(O[C@@](C\C=C\C(N[C@@](C1=O)(Cc1cc(Cl)c(cc1)OC)[H])=O)([C@@]([C@@]1(O[C@]1(c1ccccc1)[H])[H])(C)[H])[H])=O)([C@](CC)(C)[H])[H])=O)C
SPLASH splash10-052g-6910101000-56e0419a89e24adff2a0
Source of Spectrum C-117-12048-39
Synonyms (3S,10R,16S)-10-(3-chloro-4-methoxybenzyl)-6-methyl-3-[(1S)-1-methylpropyl]-16-{(1S)-1-[(2S,3S)-3-phenyloxiranyl]ethyl}-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
Wiley ID 759262