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Gracilamide B

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Gracilamide B
SpectraBase Compound ID 2O7sIKZQbYF
InChI InChI=1S/C43H85NO5/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-29-33-40(46)42(48)39(36-45)44-43(49)41(47)34-30-27-24-23-25-28-32-38-35-37(38)31-6-4-2/h37-42,45-48H,3-36H2,1-2H3,(H,44,49)/t37?,38?,39-,40+,41+,42-/m0/s1
InChIKey IMLLASGEPYOFKY-LHBUORQKSA-N
Mol Weight 696.2 g/mol
Molecular Formula C43H85NO5
Exact Mass 695.642775 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 11NLmr1duZr
Name Gracilamide B
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C43H85NO5
InChI InChI=1S/C43H85NO5/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-29-33-40(46)42(48)39(36-45)44-43(49)41(47)34-30-27-24-23-25-28-32-38-35-37(38)31-6-4-2/h37-42,45-48H,3-36H2,1-2H3,(H,44,49)/t37?,38?,39-,40+,41+,42-/m0/s1
InChIKey IMLLASGEPYOFKY-LHBUORQKSA-N
Molecular Weight 696.155 g/mol
SMILES N(C([C@@](CCCCCCCCC1CC1CCCC)(O)[H])=O)[C@]([C@@]([C@](O)(CCCCCCCCCCCCCCCCCCCCCC)[H])(O)[H])(CO)[H]
SPLASH splash10-05fr-7950000000-3a68ea83b02c7ebaf6e4
Source of Spectrum G4-69-1490-3
Synonyms (2R)-10-(2-butylcyclopropyl)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyhexacosan-2-yl]decanamide (2R)-10-(2-butylcyclopropyl)-N-[(1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)pentacosyl]-2-hydroxy-decanamide (2R)-10-(2-butylcyclopropyl)-2-oxidanyl-N-[(2S,3S,4R)-1,3,4-tris(oxidanyl)hexacosan-2-yl]decanamide
Wiley ID 1694533