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MUCRONINE-D
SpectraBase Compound ID 82IigJtojXZ
InChI InChI=1S/C37H51N5O6/c1-8-24(4)32-35(44)38-18-16-26-22-27(14-15-30(26)47-7)48-31-17-19-42(33(31)36(45)40-32)37(46)28(20-23(2)3)39-34(43)29(41(5)6)21-25-12-10-9-11-13-25/h9-16,18,22-24,28-29,31-33H,8,17,19-21H2,1-7H3,(H,38,44)(H,39,43)(H,40,45)/b18-16-
InChIKey YTPWZBXRZAQHQB-VLGSPTGOSA-N
Mol Weight 661.8 g/mol
Molecular Formula C37H51N5O6
Exact Mass 661.383934 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 74u28ZyrGpG
Name Benzenepropanamide, .alpha.-(dimethylamino)-N-[3-methyl-1-[[3,3a,12,13,14,15,16,16a-octahydro-8-methoxy-14-(1-methylpropyl)-13,16-dioxo-5,9-metheno-9H-pyrrolo[3,2-b][1,5,8]oxadiazacyclopentadecin-1(2H)-yl]carbonyl]butyl]-
CAS Registry Number 38496-00-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H51N5O6
InChI InChI=1S/C37H51N5O6/c1-8-24(4)32-35(44)38-18-16-26-22-27(14-15-30(26)47-7)48-31-17-19-42(33(31)36(45)40-32)37(46)28(20-23(2)3)39-34(43)29(41(5)6)21-25-12-10-9-11-13-25/h9-16,18,22-24,28-29,31-33H,8,17,19-21H2,1-7H3,(H,38,44)(H,39,43)(H,40,45)/b18-16-
InChIKey YTPWZBXRZAQHQB-VLGSPTGOSA-N
Molecular Weight 661.844 g/mol
SMILES N1C(C2C(CCN2C(C(CC(C)C)NC(=O)C(Cc2ccccc2)N(C)C)=O)Oc2cc(\C=C/NC(C1C(CC)C)=O)c(OC)cc2)=O
SPLASH splash10-0002-1900000000-13cd2652277f6fc9b623
Source of Spectrum K-105-3108-1
Synonyms Mucronine D
Wiley ID 1413611