Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005727110 | Gold | 3 |
| CCMSLIB00005727398 | Gold | 3 |
| CCMSLIB00005727520 | Gold | 3 |
| CCMSLIB00005727502 | Gold | 3 |
| CCMSLIB00005727666 | Gold | 3 |
| CCMSLIB00004751468 | Gold | 3!CCMSLIB00004751384 |
| CCMSLIB00005719073 | Gold | 3 |
| CCMSLIB00005719074 | Gold | 3 |
| CCMSLIB00005720074 | Gold | 3 |
| CCMSLIB00005719735 | Gold | 3 |
| CCMSLIB00005719736 | Gold | 3 |
| CCMSLIB00005719737 | Gold | 3 |
| CCMSLIB00005719738 | Gold | 3 |
COMPOUND NPA021227
PROPERTIES
| NPAID | NPA021227 |
|---|---|
| CLUSTER ID | 2988 |
| NODE ID | 2287 |
| NAME | Rugulosin |
| FORMULA | C30H22O10 |
| MOLECULAR WEIGHT (Da) | 542.4960 |
| ACCURATE MASS (Da) | 542.1213 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Sepedonium |
| ORIGIN SPECIES | ampullosporum |
| InChIKey | QFDPVUTXKUGISP-GBUXSVCISA-N |
| InChI | InChI=1S/C30H22O10/c1-7-3-9-13(11(31)5-7)21(33)17-25(37)20-23(35)15-16-24(36)19(29(15,17)27(9)39)26(38)18-22(34)14-10(28(40)30(16,18)20)4-8(2)6-12(14)32/h3-6,15-16,19-20,23-24,31-36H,1-2H3/t15-,16-,19+,20+,23-,24-,29+,30+/m1/s1 |
| SMILES | CC1=CC(=C2C(=C1)C(=O)[C@]34[C@@H]5[C@@H]6[C@H]([C@H]3C(=O)C7=C(C8=C(C=C(C=C8C(=O)[C@@]67[C@@H]([C@@H]5O)C(=O)C4=C2O)C)O)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kato A; Ando K; Kodama K; Suzuki S; Suzuki K Production, isolation and purification of antitumor active monoglycerides and other antibiotics from Sepedonium ampullosporum. Studies on antiviral and antitumor antibiotics. IX. Journal of Antibiotics 1969 22 (2) 71-76. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.22.71 | PMID | 5814217 |
SYNTHESES
| CITATION 1 | Nicolaou KC; Lim YH; Papageorgiou CD; Piper JL Total synthesis of (+)-rugulosin and (+)-2,2'-epi-cytoskyrin A through cascade reactions. Angewandte Chemie International Edition 2005 44 (48) 7917-21. DOI: 10.1002/anie.200503678 PMID: 16342134 | ||
|---|---|---|---|
| CITATION 2 | Nicolaou KC; Lim YH; Piper JL; Papageorgiou CD Total syntheses of 2,2'-epi-cytoskyrin A, rugulosin, and the alleged structure of rugulin. Journal of the American Chemical Society 2007 129 (13) 4001-13. DOI: 10.1021/ja0685708 PMID: 17355133 | ||
