Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA005892
PROPERTIES
| NPAID | NPA005892 |
|---|---|
| CLUSTER ID | 69 |
| NODE ID | 64 |
| NAME | Ergosta-7,22-diene-3-one |
| FORMULA | C28H44O |
| MOLECULAR WEIGHT (Da) | 396.6590 |
| ACCURATE MASS (Da) | 396.3392 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Fomes |
| ORIGIN SPECIES | fomentarius |
| InChIKey | AHWOEMBXZXGDBQ-LYDJHEMHSA-N |
| InChI | InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-21,24-26H,9,11-17H2,1-6H3/t19?,20-,21?,24-,25+,26+,27+,28-/m1/s1 |
| SMILES | C[C@H](C=CC(C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CCC4[C@@]3(CCC(=O)C4)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Arthur, HR; Halsall, TG; Smith, RD 528. The chemistry of triterpenes and related compounds. Part XXXIII. The isolation of ergosta-7: 22-dien-3-one from Fomes fomentarius Journal of the Chemical Society 1958 2603-2605. | ||
|---|---|---|---|
| DOI | 10.1039/jr9580002603 | PMID | - |
