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(3S,6R,10R,13E,16S)-10-(3-chloro-4-methoxy-benzyl)-3-isobutyl-6-methyl-16-[(E,1R)-1-methyl-3-phenyl-allyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-diquinone

View entire compound with spectra: 3 MS (GC)

(3S,6R,10R,13E,16S)-10-(3-chloro-4-methoxy-benzyl)-3-isobutyl-6-methyl-16-[(E,1R)-1-methyl-3-phenyl-allyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-diquinone
SpectraBase Compound ID LSMnnj4bq0L
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-XVUNPSCXSA-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 4UxCvdsig0U
Name (3S,6R,10R,13E,16S)-10-(3-chloro-4-methoxy-benzyl)-3-isobutyl-6-methyl-16-[(E,1R)-1-methyl-3-phenyl-allyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-diquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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-XVUNPSCXSA-N
Molecular Weight 639.189 g/mol
SMILES N1C(\C=C\C[C@](OC([C@@](OC([C@@](CNC([C@]1(Cc1cc(c(OC)cc1)Cl)[H])=O)(C)[H])=O)(CC(C)C)[H])=O)([C@@](\C=C\c1ccccc1)(C)[H])[H])=O
SPLASH splash10-01tc-5390701000-f702f176816b73a6d5ca
Source of Spectrum C-117-2490-Crypt.-C
Synonyms 1,4,8,11-Tetraoxo-3(R / S)-(3'-chloro-4'-methoxybenzyl)-13-(3''-phenyl-1''-methyl-2''-propenyl)-7-methyl-10-isobutyl-2,5-diaza-9,12-dioxacyclohexadec-15-ene Cryptophycin C Cryptophycin 3 (3S,6R,10R,13E,16S)-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(E,2R)-4-phenylbut-3-en-2-yl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone (3S,6R,10R,13E,16S)-10-[(3-chloro-4-methoxy-phenyl)methyl]-3-isobutyl-6-methyl-16-[(E,1R)-1-methyl-3-phenyl-allyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone (3S,6R,10R,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(E,2R)-4-phenylbut-3-en-2-yl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
Wiley ID 1697573