Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014129
PROPERTIES
| NPAID | NPA014129 |
|---|---|
| CLUSTER ID | 869 |
| NODE ID | 752 |
| NAME | Tricholomalide B |
| FORMULA | C20H28O5 |
| MOLECULAR WEIGHT (Da) | 348.4390 |
| ACCURATE MASS (Da) | 348.1937 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Tricholoma |
| ORIGIN SPECIES | sp. |
| InChIKey | CMFMNGXFTLTMOH-LVQIXTDASA-N |
| InChI | InChI=1S/C20H28O5/c1-11(2)13-6-15(22)14-7-20(24,12(3)10-21)19(5)9-17(23)25-16(19)8-18(13,14)4/h7,11,13,16,21,24H,3,6,8-10H2,1-2,4-5H3/t13-,16+,18-,19+,20+/m0/s1 |
| SMILES | C=C(CO)[C@]1(O)C=C2C(=O)C[C@@H](C(C)C)[C@]2(C)C[C@H]2OC(=O)C[C@]21C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Tsukamoto, Sachiko; Macabalang, Abdulgafor D.; Nakatani, Keigo; Obara, Yutaro; Nakahata, Norimichi; Ohta, Tomihisa Tricholomalides A-C, New Neurotrophic Diterpenes from the Mushroom Tricholoma sp Journal of Natural Products 2003 66 (12) 1578-1581. | ||
|---|---|---|---|
| DOI | 10.1021/np030140x | PMID | 14695800 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CC(C)[C@@H]1CC(=O)C2=C[C@@]([C@@]3(CC(=O)O[C@@H]3C[C@@]12C)C)(C(=C)CO)O | Tsukamoto, Sachiko; Macabalang, Abdulgafor D.; Nakatani, Keigo; Obara, Yutaro; Nakahata, Norimichi; Ohta, Tomihisa Tricholomalides A-C, New Neurotrophic Diterpenes from the Mushroom Tricholoma sp Journal of Natural Products 2003 66 (12) 1578-1581. DOI: 10.1021/np030140x PMID: 14695800 | ||
| 2 | C=C(CO)[C@]1(O)C=C2C(=O)C[C@@H](C(C)C)[C@]2(C)C[C@H]2OC(=O)C[C@]21C | Smith, Steven G; Goodman, Jonathan M Assigning stereochemistry to single diastereoisomers by GIAO NMR calculation: the DP4 probability. Journal of the American Chemical Society 2010 132 (37) 12946-59. DOI: 10.1021/ja105035r PMID: 20795713 | ||
