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

View entire compound with spectra: 2 MS (GC)

(3S,6R,10R,13E,16R)-10-(3-chloro-4-methoxy-benzyl)-16-[(E)-cinnamyl]-3-isobutyl-6-methyl-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-diquinone
SpectraBase Compound ID 1NLw9mtGdxG
InChI InChI=1S/C34H41ClN2O7/c1-22(2)18-30-34(41)43-26(13-8-12-24-10-6-5-7-11-24)14-9-15-31(38)37-28(32(39)36-21-23(3)33(40)44-30)20-25-16-17-29(42-4)27(35)19-25/h5-12,15-17,19,22-23,26,28,30H,13-14,18,20-21H2,1-4H3,(H,36,39)(H,37,38)/b12-8+,15-9+/t23-,26-,28-,30+/m1/s1
InChIKey YMZVKVLSUBCSND-DWEOSBBHSA-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 JQQ15HhRPFa
Name (3S,6R,10R,13E,16R)-10-(3-chloro-4-methoxy-benzyl)-16-[(E)-cinnamyl]-3-isobutyl-6-methyl-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 C34H41ClN2O7
InChI InChI=1S/C34H41ClN2O7/c1-22(2)18-30-34(41)43-26(13-8-12-24-10-6-5-7-11-24)14-9-15-31(38)37-28(32(39)36-21-23(3)33(40)44-30)20-25-16-17-29(42-4)27(35)19-25/h5-12,15-17,19,22-23,26,28,30H,13-14,18,20-21H2,1-4H3,(H,36,39)(H,37,38)/b12-8+,15-9+/t23-,26-,28-,30+/m1/s1
InChIKey YMZVKVLSUBCSND-DWEOSBBHSA-N
Molecular Weight 625.162 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)[H])=O
SPLASH splash10-03dj-0980300000-19d3a50a0629e0b0a33d
Source of Spectrum C-117-12042-10
Synonyms (E)-(3S,6R,10R,16R)-10-(3-Chloro-4-methoxy-benzyl)-3-isobutyl-6-methyl-16-((E)-3-phenyl-allyl)-1,4-dioxa-8,11-diaza-cyclohexadec-13-ene-2,5,9,12-tetraone Cryptophycin-40 (3S,6R,10R,13E,16R)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(E)-3-phenylprop-2-enyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone (3S,6R,10R,13E,16R)-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(E)-3-phenylprop-2-enyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone (3S,6R,10R,13E,16R)-10-[(3-chloro-4-methoxy-phenyl)methyl]-16-[(E)-cinnamyl]-3-isobutyl-6-methyl-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
Wiley ID 759279