Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA032764
PROPERTIES
NPAID | NPA032764 |
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CLUSTER ID | 2371 |
NODE ID | 1867 |
NAME | Stellatic acid |
FORMULA | C25H38O2 |
MOLECULAR WEIGHT (Da) | 370.5770 |
ACCURATE MASS (Da) | 370.2872 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Aspergillus |
ORIGIN SPECIES | stellatus |
InChIKey | FSKFLBQJBSQQKA-DMZCBJAKSA-N |
InChI | InChI=1S/C25H38O2/c1-17(2)20-12-16-25(5)21(20)13-15-24(4)14-11-19(23(26)27)8-6-7-18(3)9-10-22(24)25/h7,11,20-22H,1,6,8-10,12-16H2,2-5H3,(H,26,27)/b18-7+,19-11-/t20-,21-,22-,24+,25-/m1/s1 |
SMILES | C=C(C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@]1(C)C/C=C(\C(=O)O)CC/C=C(\C)CC[C@H]12 |
ORIGINAL ISOLATION REFERENCE
CITATION | Qureshi, Izhar H.; Husain, Shaheen A.; Noorani, Radia; Murtaza, Najma; Iitaka, Yoichi; Iwasaki, Shigeo; Okuda, Shigenobu Stellatic Acid: a New Class of Sesterterpenoid; X-Ray Crystal Structure Tetrahedron Letters 1980 21 (20) 1961-1962. | ||
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DOI | 10.1016/S0040-4039(00)93657-8 | PMID | - |