Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA005024
PROPERTIES
NPAID | NPA005024 |
---|---|
CLUSTER ID | 69 |
NODE ID | 64 |
NAME | Pinicolic acid B |
FORMULA | C30H44O4 |
MOLECULAR WEIGHT (Da) | 468.6780 |
ACCURATE MASS (Da) | 468.3240 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Fomitopsis |
ORIGIN SPECIES | pinicola |
InChIKey | RWQINIOQZXZDGZ-JLPRQSABSA-N |
InChI | InChI=1S/C30H44O4/c1-18(2)9-8-10-19(26(33)34)25-22(31)17-30(7)21-11-12-23-27(3,4)24(32)14-15-28(23,5)20(21)13-16-29(25,30)6/h9,19,23,25H,8,10-17H2,1-7H3,(H,33,34)/t19-,23+,25+,28-,29-,30+/m1/s1 |
SMILES | CC(=CCC[C@H]([C@H]1C(=O)C[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)C(=O)O)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 | - |