Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA000088
PROPERTIES
NPAID | NPA000088 |
---|---|
CLUSTER ID | 77 |
NODE ID | 72 |
NAME | Blazeispirol X |
FORMULA | C28H38O4 |
MOLECULAR WEIGHT (Da) | 438.6080 |
ACCURATE MASS (Da) | 438.2770 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Agaricus |
ORIGIN SPECIES | blazei |
InChIKey | VBISPJCTWIICDB-RDCGBHQJSA-N |
InChI | InChI=1S/C28H38O4/c1-15-20-9-11-26(6)22-10-12-27(26,23(20)13-18-7-8-19(29)14-21(15)18)32-28(16(22)2)24(30)17(3)25(4,5)31-28/h9,11,13,16-17,19,22,24,29-30H,7-8,10,12,14H2,1-6H3/t16-,17-,19-,22+,24+,26+,27-,28-/m0/s1 |
SMILES | C[C@H]1[C@H]2CC[C@]3([C@@]2(C=CC4=C(C5=C(CC[C@@H](C5)O)C=C43)C)C)O[C@]16[C@@H]([C@@H](C(O6)(C)C)C)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Hirotani, Masao; Hirotani, Seiko; Yoshikawa, Takafumi Blazeispirol X and Y, two novel carbon skeletal sterols from the cultured mycelia of the fungus Agaricus blazei Tetrahedron Letters 2000 41 (26) 5107-5110. | ||
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DOI | 10.1016/s0040-4039(00)00783-8 | PMID | - |