Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA009640
PROPERTIES
NPAID | NPA009640 |
---|---|
CLUSTER ID | 69 |
NODE ID | 64 |
NAME | Pinicolol B |
FORMULA | C30H48O3 |
MOLECULAR WEIGHT (Da) | 456.7110 |
ACCURATE MASS (Da) | 456.3603 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Fomitopsis |
ORIGIN SPECIES | pinicola |
InChIKey | SYYMLPJRZHTLKJ-LNISQLTRSA-N |
InChI | InChI=1S/C30H48O3/c1-19(2)9-8-10-20(18-31)23-17-26(33)30(7)22-11-12-24-27(3,4)25(32)14-15-28(24,5)21(22)13-16-29(23,30)6/h9,11,13,20,23-26,31-33H,8,10,12,14-18H2,1-7H3/t20-,23+,24-,25-,26-,28+,29+,30+/m0/s1 |
SMILES | CC(=CCC[C@@H](CO)[C@H]1C[C@@H]([C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)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 | - |