Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA009078
PROPERTIES
NPAID | NPA009078 |
---|---|
CLUSTER ID | 1660 |
NODE ID | 1356 |
NAME | 16-deoxycucurbitacin B |
FORMULA | C32H46O7 |
MOLECULAR WEIGHT (Da) | 542.7130 |
ACCURATE MASS (Da) | 542.3244 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Leucopaxillus |
ORIGIN SPECIES | gentianeus |
InChIKey | BXYMOPHDFDLMEA-LTFRKHHZSA-N |
InChI | InChI=1S/C32H46O7/c1-18(33)39-27(2,3)14-13-24(35)32(9,38)23-12-15-29(6)22-11-10-19-20(16-21(34)26(37)28(19,4)5)31(22,8)25(36)17-30(23,29)7/h10,13-14,20-23,34,38H,11-12,15-17H2,1-9H3/b14-13+/t20-,21+,22+,23+,29+,30-,31+,32-/m1/s1 |
SMILES | CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)([C@H]1CC[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O)C)C)C)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Clericuzio, Marco; Tabasso, Silvia; Bianco, Maria Ausilia; Pratesi, Graziella; Beretta, Giovanni; Tinelli, Stella; Zunino, Franco; Vidari, Giovanni Cucurbitane triterpenes from the fruiting bodies and cultivated mycelia of Leucopaxillus gentianeus Journal of Natural Products 2006 69 (12) 1796-1799. | ||
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DOI | 10.1021/np060213n | PMID | 17190463 |