Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA004806
PROPERTIES
| NPAID | NPA004806 |
|---|---|
| CLUSTER ID | 1515 |
| NODE ID | 1244 |
| NAME | (+)-Cyclocitrinol |
| FORMULA | C25H36O4 |
| MOLECULAR WEIGHT (Da) | 400.5590 |
| ACCURATE MASS (Da) | 400.2614 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | citrinum |
| InChIKey | QZAMIRPHNVBTIV-MVCGSXMESA-N |
| InChI | InChI=1S/C25H36O4/c1-15(26)8-11-25(3,29)23-7-6-21-20-14-22(28)17-12-16(4-5-18(27)13-17)19(20)9-10-24(21,23)2/h4,8,11,14-15,17-19,21,23,26-27,29H,5-7,9-10,12-13H2,1-3H3/b11-8+/t15?,17-,18-,19+,21-,23-,24-,25?/m0/s1 |
| SMILES | CC(/C=C/C(C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC(=O)[C@@H]4C[C@H](CC=C3C4)O)C)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Amagata, Taro; Amagata, Akiko; Tenney, Karen; Valeriote, Frederick A; Lobkovsky, Emil; Clardy, Jon; Crews, Phillip Unusual C25 steroids produced by a sponge-derived Penicillium citrinum Organic Letters 2003 5 (23) 4393-4396. | ||
|---|---|---|---|
| DOI | 10.1021/ol0356800 | PMID | 14602008 |
