Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014572
PROPERTIES
| NPAID | NPA014572 |
|---|---|
| CLUSTER ID | 69 |
| NODE ID | 64 |
| NAME | Saponaceol C |
| FORMULA | C48H69NO12 |
| MOLECULAR WEIGHT (Da) | 852.0750 |
| ACCURATE MASS (Da) | 851.4820 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Tricholoma |
| ORIGIN SPECIES | saponaceum |
| InChIKey | IXOHNANPKRRVME-GRZPWUCYSA-N |
| InChI | InChI=1S/C48H69NO12/c1-27(50)59-34-24-46(7)32-23-36(51)48(9)30(29-16-19-37(44(4,5)56)60-41(29)54)20-21-47(48,8)31(32)17-18-35(46)43(2,3)40(34)61-39(53)26-45(6,57)25-38(52)49-33(42(55)58-10)22-28-14-12-11-13-15-28/h11-15,22,29-30,34-37,40-41,51,54,56-57H,16-21,23-26H2,1-10H3,(H,49,52)/b33-22-/t29-,30-,34-,35+,36+,37-,40+,41?,45?,46-,47+,48+/m1/s1 |
| SMILES | CC(=O)O[C@@H]1C[C@]2([C@@H](CCC3=C2C[C@@H]([C@]4([C@]3(CC[C@@H]4[C@H]5CC[C@@H](OC5O)C(C)(C)O)C)C)O)C([C@H]1OC(=O)CC(C)(CC(=O)N/C(=C\C6=CC=CC=C6)/C(=O)OC)O)(C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Yoshikawa, Kazuko; Kuroboshi, Mina; Ahagon, Seiko; Arihara, Shigenobu Three novel crustulinol esters, saponaceols A - C, from Tricholoma saponaceum Chemical and Pharmaceutical Bulletin 2004 52 (7) 886-888. | ||
|---|---|---|---|
| DOI | 10.1248/cpb.52.886 | PMID | 15256717 |
