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. | ||
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DOI | 10.1016/j.bmcl.2008.04.008 | PMID | 18439824 |