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Chondramide A
SpectraBase Compound ID DUTjNHAztWg
InChI InChI=1S/C36H46N4O7/c1-20-16-21(2)24(5)47-36(45)32(46-7)31(25-12-14-27(41)15-13-25)39-34(43)30(18-26-19-37-29-11-9-8-10-28(26)29)40(6)35(44)23(4)38-33(42)22(3)17-20/h8-16,19,21-24,30-32,37,41H,17-18H2,1-7H3,(H,38,42)(H,39,43)/b20-16+
InChIKey IEKCRWAFVYJECW-CAPFRKAQSA-N
Mol Weight 646.8 g/mol
Molecular Formula C36H46N4O7
Exact Mass 646.33665 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5MtTF4RGaWd
Name Chondramide A
Alternate Name(s) (15E)-4-(4-hydroxyphenyl)-7-(1H-indol-3-ylmethyl)-3-methoxy-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone
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Formula C36H46N4O7
InChI InChI=1S/C36H46N4O7/c1-20-16-21(2)24(5)47-36(45)32(46-7)31(25-12-14-27(41)15-13-25)39-34(43)30(18-26-19-37-29-11-9-8-10-28(26)29)40(6)35(44)23(4)38-33(42)22(3)17-20/h8-16,19,21-24,30-32,37,41H,17-18H2,1-7H3,(H,38,42)(H,39,43)/b20-16+
InChIKey IEKCRWAFVYJECW-CAPFRKAQSA-N
Molecular Weight 646.785 g/mol
SMILES N1C(C(C\C(=C\C(C(OC(C(C(c2ccc(cc2)O)NC(C(Cc2c[nH]c3c2cccc3)N(C(C1C)=O)C)=O)OC)=O)C)C)C)C)=O
SPLASH splash10-00di-0930000000-cf7c3c1e602721716d70
Source of Spectrum U-1996-290-1
Wiley ID 768216