Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA009662
PROPERTIES
NPAID | NPA009662 |
---|---|
CLUSTER ID | 69 |
NODE ID | 64 |
NAME | Agnosterone |
FORMULA | C30H46O |
MOLECULAR WEIGHT (Da) | 422.6970 |
ACCURATE MASS (Da) | 422.3549 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Fomitopsis |
ORIGIN SPECIES | pinicola |
InChIKey | XKYJBQWATZUMSB-WUELKCQHSA-N |
InChI | InChI=1S/C30H46O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,12,15,21-22,25H,9,11,13-14,16-19H2,1-8H3/t21-,22-,25+,28-,29-,30+/m1/s1 |
SMILES | C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Roesecke, Joachim; Koenig, Wilfried A. Steroids from the fungus Fomitopsis pinicola Phytochemistry 1999 52 (8) 1621-1627. | ||
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DOI | 10.1016/s0031-9422(99)00349-0 | PMID | - |