Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA018251
PROPERTIES
NPAID | NPA018251 |
---|---|
CLUSTER ID | 2301 |
NODE ID | 433 |
NAME | 22-epoxyberkeleydione |
FORMULA | C26H32O8 |
MOLECULAR WEIGHT (Da) | 472.5340 |
ACCURATE MASS (Da) | 472.2097 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Penicillium |
ORIGIN SPECIES | minioluteum |
InChIKey | DRMIYYPESWIXHQ-PSNFPAJSSA-N |
InChI | InChI=1S/C26H32O8/c1-13-14-10-17(27)34-21(2,3)15(14)8-9-22(4)16(13)11-23(5)18(28)24(6,31)19(29)26(22,20(30)32-7)25(23)12-33-25/h8,16,31H,9-12H2,1-7H3/t16-,22-,23-,24-,25+,26+/m0/s1 |
SMILES | CC1=C2CC(=O)OC(C2=CC[C@]3([C@H]1C[C@]4(C(=O)[C@](C(=O)[C@@]3([C@@]45CO5)C(=O)OC)(C)O)C)C)(C)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Iida, Motoo; Ooi, Takashi; Kito, Keijiro; Yoshida, Sanae; Kanoh, Kaneo; Shizuri, Yoshikazu; Kusumi, Takenori Three new polyketide-terpenoid hybrids from Penicillium sp Organic Letters 2008 10 (5) 845-848. | ||
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DOI | 10.1021/ol7029867 | PMID | 18237180 |