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5R,6S)-Cryptophycin C

View entire compound with spectra: 2 MS (GC)

5R,6S)-Cryptophycin C
SpectraBase Compound ID F5s3tsjGTfu
InChI InChI=1S/C35H43ClN2O7/c1-22(2)18-31-35(42)44-29(23(3)14-15-25-10-7-6-8-11-25)12-9-13-32(39)38-28(33(40)37-21-24(4)34(41)45-31)20-26-16-17-30(43-5)27(36)19-26/h6-11,13-17,19,22-24,28-29,31H,12,18,20-21H2,1-5H3,(H,37,40)(H,38,39)/b13-9+,15-14+/t23-,24+,28-,29+,31+/m1/s1
InChIKey QLGFKEFRTAOKJU-JXXQPYBOSA-N
Mol Weight 639.2 g/mol
Molecular Formula C35H43ClN2O7
Exact Mass 638.275879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5lP8XkYo1wv
Name 5R,6S)-Cryptophycin C
Alternate Name(s) (6S)-cryptophycin C (3S,6S,10R,16S)-10-(3-chloro-4-methoxybenzyl)-3-isobutyl-6-methyl-16-[(1R,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 C35H43ClN2O7
InChI InChI=1S/C35H43ClN2O7/c1-22(2)18-31-35(42)44-29(23(3)14-15-25-10-7-6-8-11-25)12-9-13-32(39)38-28(33(40)37-21-24(4)34(41)45-31)20-26-16-17-30(43-5)27(36)19-26/h6-11,13-17,19,22-24,28-29,31H,12,18,20-21H2,1-5H3,(H,37,40)(H,38,39)/b13-9+,15-14+/t23-,24+,28-,29+,31+/m1/s1
InChIKey QLGFKEFRTAOKJU-JXXQPYBOSA-N
Molecular Weight 639.189 g/mol
SMILES N1C(\C=C\C[C@](OC([C@@](OC([C@](CNC([C@]1(Cc1cc(Cl)c(cc1)OC)[H])=O)(C)[H])=O)(CC(C)C)[H])=O)([C@@](\C=C\c1ccccc1)(C)[H])[H])=O
SPLASH splash10-03fr-4382902000-2f4be4c003645859f743
Source of Spectrum J-61-6900-29
Wiley ID 1412510