Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA004299
PROPERTIES
| NPAID | NPA004299 |
|---|---|
| CLUSTER ID | 17 |
| NODE ID | 17 |
| NAME | Lolicine-A 11-O-propionate |
| FORMULA | C41H57NO6 |
| MOLECULAR WEIGHT (Da) | 659.9080 |
| ACCURATE MASS (Da) | 659.4186 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Neotyphodium |
| ORIGIN SPECIES | perenne |
| InChIKey | PZRAMTMTKBVJCA-HPVTZBPJSA-N |
| InChI | InChI=1S/C41H57NO6/c1-11-31(43)47-30-20-29(36(2,3)45)46-28-16-17-39(8)27(40(28,30)9)15-12-21-18-24-32-23-19-25-33(38(6,7)48-37(25,4)5)34(44)22(23)13-14-26(32)42-35(24)41(21,39)10/h13-14,21,25,27-30,33,42,45H,11-12,15-20H2,1-10H3/t21-,25+,27+,28-,29-,30+,33-,39-,40-,41+/m0/s1 |
| SMILES | CCC(=O)O[C@@H]1C[C@H](O[C@@H]2[C@@]1([C@@H]3CC[C@H]4CC5=C([C@@]4([C@]3(CC2)C)C)NC6=C5C7=C(C=C6)C(=O)[C@@H]8[C@@H](C7)C(OC8(C)C)(C)C)C)C(C)(C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Munday-Finch, Sarah C; Wilkins, Alistair L; Miles, Christopher O Isolation of lolicine A, lolicine B, lolitriol, and lolitrem N from Lolium perenne infected with Neotyphodium lolii and evidence for the natural occurrence of 31-epilolitrem N and 31-epilolitrem F Journal of Agricultural and Food Chemistry 1998 46 (2) 590-598. | ||
|---|---|---|---|
| DOI | 10.1021/jf9706787 | PMID | 10554283 |
