Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA001685
PROPERTIES
NPAID | NPA001685 |
---|---|
CLUSTER ID | 69 |
NODE ID | 64 |
NAME | Fomitopsic acid B |
FORMULA | C33H48O5 |
MOLECULAR WEIGHT (Da) | 524.7420 |
ACCURATE MASS (Da) | 524.3502 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Fomitopsis |
ORIGIN SPECIES | pinicola |
InChIKey | SXYOHWHWZQDZED-YAIYFESBSA-N |
InChI | InChI=1S/C33H48O5/c1-21(2)9-8-10-22(20-38-29(37)19-28(35)36)23-13-17-33(7)25-11-12-26-30(3,4)27(34)15-16-31(26,5)24(25)14-18-32(23,33)6/h9,11,14,22-23,26H,8,10,12-13,15-20H2,1-7H3,(H,35,36)/t22-,23+,26-,31+,32+,33-/m0/s1 |
SMILES | CC(=CCC[C@@H](COC(=O)CC(=O)O)[C@H]1CC[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)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 | - |