Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA004072
PROPERTIES
| NPAID | NPA004072 |
|---|---|
| CLUSTER ID | 2162 |
| NODE ID | 754 |
| NAME | Polyporoid A |
| FORMULA | C28H44O7 |
| MOLECULAR WEIGHT (Da) | 492.6530 |
| ACCURATE MASS (Da) | 492.3087 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Polyporus |
| ORIGIN SPECIES | umbellatus |
| InChIKey | WLJSJUHWAWNUMY-TWQLGMOSSA-N |
| InChI | InChI=1S/C28H44O7/c1-13(2)14(3)22(32)24-27(6,33)23-21(35-24)12-28(34)16-9-18(29)17-10-19(30)20(31)11-25(17,4)15(16)7-8-26(23,28)5/h9,13-15,17,19-24,30-34H,7-8,10-12H2,1-6H3/t14?,15-,17-,19+,20-,21-,22-,23-,24-,25+,26+,27+,28+/m0/s1 |
| SMILES | CC(C)C(C)[C@@H]([C@H]1[C@]([C@H]2[C@@H](O1)C[C@@]3([C@@]2(CC[C@H]4C3=CC(=O)[C@H]5[C@@]4(C[C@@H]([C@@H](C5)O)O)C)C)O)(C)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Sun, Yi; Yasukawa, Ken New anti-inflammatory ergostane-type ecdysteroids from the sclerotium of Polyporus umbellatus Bioorganic and Medicinal Chemistry Letters 2008 18 (11) 3417-3420. | ||
|---|---|---|---|
| DOI | 10.1016/j.bmcl.2008.04.008 | PMID | 18439824 |
