Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA010813
PROPERTIES
NPAID | NPA010813 |
---|---|
CLUSTER ID | 4264 |
NODE ID | 3147 |
NAME | Sucro-neolambertillin |
FORMULA | C26H30O15 |
MOLECULAR WEIGHT (Da) | 582.5110 |
ACCURATE MASS (Da) | 582.1585 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Lambertella |
ORIGIN SPECIES | sp. 1346 |
InChIKey | HABCTTDPKMSEOW-FPAQFCJTSA-N |
InChI | InChI=1S/C26H30O15/c1-10-5-11-6-14(16-12(3-2-4-13(16)30)20(11)38-23(10)36)39-25(8-28)21(34)22(35)26(9-29,41-25)40-24-19(33)18(32)17(31)15(7-27)37-24/h2-6,15,17-19,21-22,24,27-35H,7-9H2,1H3/t15-,17-,18+,19-,21+,22+,24-,25-,26-/m1/s1 |
SMILES | CC1=CC2=CC(=C3C(=C2OC1=O)C=CC=C3O)O[C@]4([C@H]([C@@H]([C@](O4)(CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)CO |
ORIGINAL ISOLATION REFERENCE
CITATION | Schuetz, Anne; Murakami, Takanori; Takada, Noboru; Junker, Jochen; Hashimoto, Masaru; Griesinger, Christian RDC-enhanced NMR spectroscopy in structure elucidation of sucro-neolambertellin Angewandte Chemie International Edition 2008 47 (11) 2032-2034. | ||
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DOI | 10.1002/anie.200705037 | PMID | 18236483 |