Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015959
PROPERTIES
| NPAID | NPA015959 |
|---|---|
| CLUSTER ID | 319 |
| NODE ID | 290 |
| NAME | Astellolide A |
| FORMULA | C26H30O8 |
| MOLECULAR WEIGHT (Da) | 470.5180 |
| ACCURATE MASS (Da) | 470.1941 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | variecolor |
| InChIKey | ISPOIRCRAAHBEV-GETZNYBYSA-N |
| InChI | InChI=1S/C26H30O8/c1-16(27)32-14-25(3)10-7-11-26(15-33-17(2)28)20-13-31-24(30)19(20)12-21(22(25)26)34-23(29)18-8-5-4-6-9-18/h4-6,8-9,21-22H,7,10-15H2,1-3H3/t21-,22+,25-,26+/m1/s1 |
| SMILES | CC(=O)OC[C@]1(CCC[C@]2([C@H]1[C@@H](CC3=C2COC3=O)OC(=O)C4=CC=CC=C4)COC(=O)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Gould, Robert O.; Simpson, Thomas J.; Walkinshaw, Malcolm D. ISOLATION AND X-RAY CRYSTAL STRUCTURES OF ASTELLOLIDES A AND B, SESQUITERPENOID METABOLITES OF ASPERGILLUS VARIECOLOR Tetrahedron Letters 1981 22 1047-1050. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4039(01)82862-8 | PMID | - |
