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Crytophycin D

View entire compound with spectra: 1 MS (GC)

Crytophycin D
SpectraBase Compound ID Rp5SMpK1es
InChI InChI=1S/C35H44N2O7/c1-23(2)20-31-35(41)43-30(24(3)14-15-26-10-7-6-8-11-26)12-9-13-32(38)37-29(21-27-16-18-28(42-5)19-17-27)33(39)36-22-25(4)34(40)44-31/h6-11,13-19,23-25,29-31H,12,20-22H2,1-5H3,(H,36,39)(H,37,38)/b13-9+,15-14+/t24-,25-,29-,30+,31+/m1/s1
InChIKey IEYSWBYGDJSUEZ-FBLQQVRNSA-N
Mol Weight 604.7 g/mol
Molecular Formula C35H44N2O7
Exact Mass 604.314852 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JepKt3NaMdM
Name Crytophycin D
Alternate Name(s) (3S,6R,10R,13E,16S)-3-isobutyl-10-[(4-methoxyphenyl)methyl]-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-[(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
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Formula C35H44N2O7
InChI InChI=1S/C35H44N2O7/c1-23(2)20-31-35(41)43-30(24(3)14-15-26-10-7-6-8-11-26)12-9-13-32(38)37-29(21-27-16-18-28(42-5)19-17-27)33(39)36-22-25(4)34(40)44-31/h6-11,13-19,23-25,29-31H,12,20-22H2,1-5H3,(H,36,39)(H,37,38)/b13-9+,15-14+/t24-,25-,29-,30+,31+/m1/s1
InChIKey IEYSWBYGDJSUEZ-FBLQQVRNSA-N
Molecular Weight 604.744 g/mol
SMILES N1C(\C=C\C[C@](OC([C@@](OC([C@@](CNC([C@]1(Cc1ccc(cc1)OC)[H])=O)(C)[H])=O)(CC(C)C)[H])=O)([C@@](\C=C\c1ccccc1)(C)[H])[H])=O
SPLASH splash10-01tc-8956000000-36f42312024be9dd5e1f
Source of Spectrum C-116-4735-4
Wiley ID 1410483