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Muricapentocin
SpectraBase Compound ID BejsJpCLnD1
InChI InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-12-19-31(39)33-22-23-34(43-33)32(40)21-20-29(37)17-13-15-28(36)16-14-18-30(38)25-27-24-26(2)42-35(27)41/h24,26,28-34,36-40H,3-23,25H2,1-2H3/t26?,28?,29?,30?,31-,32-,33-,34-/m1/s1
InChIKey OGJFDIKXSQSEIB-LEMLAFONSA-N
Mol Weight 612.9 g/mol
Molecular Formula C35H64O8
Exact Mass 612.460119 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4YWQdOwcNAx
Name Muricapentocin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H64O8
InChI InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-12-19-31(39)33-22-23-34(43-33)32(40)21-20-29(37)17-13-15-28(36)16-14-18-30(38)25-27-24-26(2)42-35(27)41/h24,26,28-34,36-40H,3-23,25H2,1-2H3/t26?,28?,29?,30?,31-,32-,33-,34-/m1/s1
InChIKey OGJFDIKXSQSEIB-LEMLAFONSA-N
Molecular Weight 612.889 g/mol
SMILES OC(CCCC(CCCC(CC[C@]([C@@]1(O[C@]([C@](O)(CCCCCCCCCCCC)[H])([H])CC1)[H])(O)[H])O)O)CC=1C(OC(C1)C)=O
SPLASH splash10-056r-0029000000-0e463770abf9e27a2871
Source of Spectrum G4-61-435-2
Synonyms 2-Methyl-4-[(13R)-2,6,10,13-tetrahydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]-2-oxolanyl]tridecyl]-2H-furan-5-one 2-Methyl-4-[(13R)-2,6,10,13-tetrahydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one 2-Methyl-4-[(13R)-2,6,10,13-tetrahydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]tetrahydrofuran-2-yl]tridecyl]-2H-furan-5-one 2-Methyl-4-[(13R)-2,6,10,13-tetrakis(oxidanyl)-13-[(2R,5R)-5-[(1R)-1-oxidanyltridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one
Wiley ID 1607174