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Gracilamide A

View entire compound with spectra: 1 MS (GC)

Gracilamide A
SpectraBase Compound ID 42g6FliBJle
InChI InChI=1S/C43H83NO5/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30-34-41(47)43(49)44-39(36-45)42(48)40(46)33-29-27-24-25-28-32-38-35-37(38)31-6-4-2/h27,29,37-42,45-48H,3-26,28,30-36H2,1-2H3,(H,44,49)/b29-27+/t37?,38?,39-,40+,41+,42-/m0/s1
InChIKey MFPIKADAVWYTIK-SVZYJHTQSA-N
Mol Weight 694.1 g/mol
Molecular Formula C43H83NO5
Exact Mass 693.627125 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9DsSI5sJEwa
Name Gracilamide A
Alternate Name(s) (2R)-N-[(E,2S,3S,4R)-11-(2-butylcyclopropyl)-1,3,4-trihydroxyundec-6-en-2-yl]-2-hydroxypentacosanamide (2R)-N-[(E,1S,2S,3R)-10-(2-butylcyclopropyl)-2,3-dihydroxy-1-(hydroxymethyl)dec-5-enyl]-2-hydroxy-pentacosanamide (2R)-N-[(E,2S,3S,4R)-11-(2-butylcyclopropyl)-1,3,4-tris(oxidanyl)undec-6-en-2-yl]-2-oxidanyl-pentacosanamide
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Formula C43H83NO5
InChI InChI=1S/C43H83NO5/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30-34-41(47)43(49)44-39(36-45)42(48)40(46)33-29-27-24-25-28-32-38-35-37(38)31-6-4-2/h27,29,37-42,45-48H,3-26,28,30-36H2,1-2H3,(H,44,49)/b29-27+/t37?,38?,39-,40+,41+,42-/m0/s1
InChIKey MFPIKADAVWYTIK-SVZYJHTQSA-N
Molecular Weight 694.139 g/mol
SMILES N([C@]([C@@]([C@@](C\C=C\CCCCC1CC1CCCC)(O)[H])(O)[H])(CO)[H])C([C@](O)(CCCCCCCCCCCCCCCCCCCCCCC)[H])=O
SPLASH splash10-0a4i-7920000000-5f5766aae005cfc04423
Source of Spectrum G4-69-1490-2
Wiley ID 1694534