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Sailcylihalamide A

View entire compound with spectra: 1 MS (GC)

Sailcylihalamide A
SpectraBase Compound ID H5I0R9Ewlwy
InChI InChI=1S/C26H33NO5/c1-3-4-5-6-16-24(30)27-17-10-14-21-18-23(29)19(2)11-7-8-12-20-13-9-15-22(28)25(20)26(31)32-21/h4-10,13,15-17,19,21,23,28-29H,3,11-12,14,18H2,1-2H3,(H,27,30)/b5-4+,8-7+,16-6+,17-10+/t19-,21-,23+/m1/s1
InChIKey VFCUJHFLFHQCRD-LBWSWIJMSA-N
Mol Weight 439.6 g/mol
Molecular Formula C26H33NO5
Exact Mass 439.235873 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID wxbQr7j72
Name Sailcylihalamide A
Alternate Name(s) (2E,4E)-Hepta-2,4-dienoic acid[(E)-3-((E)-(7R,9S,10R)-4,9-dihydroxy-10-methyl-5-oxo-5,8,9,10,11,14-hexahydro-7H-6-oxa-benzocyclododecen-7-yl)-propenyl]-amide (2E,4E)-N-{(1E)-3-[(3R,5S,6R)-5,14-dihydroxy-6-methyl-1-oxo-3,4,5,6,7,10-hexahydro-1H-2-benzoxacyclododecin-3-yl]-1-propenyl}-2,4-heptadienamide
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Formula C26H33NO5
InChI InChI=1S/C26H33NO5/c1-3-4-5-6-16-24(30)27-17-10-14-21-18-23(29)19(2)11-7-8-12-20-13-9-15-22(28)25(20)26(31)32-21/h4-10,13,15-17,19,21,23,28-29H,3,11-12,14,18H2,1-2H3,(H,27,30)/b5-4+,8-7+,16-6+,17-10+/t19-,21-,23+/m1/s1
InChIKey VFCUJHFLFHQCRD-LBWSWIJMSA-N
Molecular Weight 439.552 g/mol
SMILES Oc1c2c(C\C=C\C[C@]([C@](C[C@@](C\C=C\NC(\C=C\C=C\CC)=O)(OC2=O)[H])(O)[H])(C)[H])ccc1
SPLASH splash10-053r-9500100000-d7b303ef1b2fbe77d5e8
Source of Spectrum J-62-8191-1
Wiley ID 1384454