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Homo-destruxin B
SpectraBase Compound ID 12lO3giirg8
InChI InChI=1S/C31H53N5O7/c1-10-19(5)25-30(41)35(9)26(20(6)11-2)31(42)34(8)21(7)27(38)32-15-14-24(37)43-23(17-18(3)4)29(40)36-16-12-13-22(36)28(39)33-25/h18-23,25-26H,10-17H2,1-9H3,(H,32,38)(H,33,39)
InChIKey WWALEZSSEHJILM-UHFFFAOYSA-N
Mol Weight 607.8 g/mol
Molecular Formula C31H53N5O7
Exact Mass 607.394499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GHo8h3LiYB
Name Homo-destruxin B
Alternate Name(s) 3-isobutyl-10,11,14-trimethyl-13,16-disec-butyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone 13,16-di(butan-2-yl)-10,11,14-trimethyl-3-(2-methylpropyl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
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Formula C31H53N5O7
InChI InChI=1S/C31H53N5O7/c1-10-19(5)25-30(41)35(9)26(20(6)11-2)31(42)34(8)21(7)27(38)32-15-14-24(37)43-23(17-18(3)4)29(40)36-16-12-13-22(36)28(39)33-25/h18-23,25-26H,10-17H2,1-9H3,(H,32,38)(H,33,39)
InChIKey WWALEZSSEHJILM-UHFFFAOYSA-N
Molecular Weight 607.793 g/mol
SMILES N1C(C2N(C(C(OC(CCNC(C(N(C(C(N(C(C1C(CC)C)=O)C)C(CC)C)=O)C)C)=O)=O)CC(C)C)=O)CCC2)=O
SPLASH splash10-0udi-5900330000-96d4bee54577ea43e060
Source of Spectrum X2-50-406-4
Wiley ID 1602223