Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015011
PROPERTIES
| NPAID | NPA015011 |
|---|---|
| CLUSTER ID | 901 |
| NODE ID | 780 |
| NAME | Penisporolide B |
| FORMULA | C17H26O5 |
| MOLECULAR WEIGHT (Da) | 310.3900 |
| ACCURATE MASS (Da) | 310.1780 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | sp. |
| InChIKey | VSQDCUDZISJHTP-WVZRYYJFSA-N |
| InChI | InChI=1S/C17H26O5/c1-4-5-11(18)6-7-12-8-9-17(21-12)10-13-14(22-17)16(2,3)15(19)20-13/h12-14H,4-10H2,1-3H3/t12-,13-,14+,17+/m1/s1 |
| SMILES | CCCC(=O)CC[C@@H]1CC[C@]2(C[C@H]3OC(=O)C(C)(C)[C@H]3O2)O1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Li, Xiang; Sattler, Isabel; Lin, Wenhan Penisporolides A and B, Two New Spiral Lactones from the Marine-derived Fungus Penicillium sp Journal of Antibiotics 2007 60 (3) 191-195. | ||
|---|---|---|---|
| DOI | 10.1038/ja.2007.21 | PMID | 17446691 |
SYNTHESES
| CITATION 1 | Wang J; Tong R Total Synthesis of Purported Cephalosporolides H and I, Penisporolide B, and Their Stereoisomers. Journal of Organic Chemistry 2016 81 (10) 4325-39. DOI: 10.1021/acs.joc.6b00788 PMID: 27137949 | ||
|---|---|---|---|
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CCCC(=O)CC[C@@H]1CC[C@]2(O1)C[C@H]3[C@@H](O2)C(C(=O)O3)(C)C | Li, Xiang; Sattler, Isabel; Lin, Wenhan Penisporolides A and B, Two New Spiral Lactones from the Marine-derived Fungus Penicillium sp Journal of Antibiotics 2007 60 (3) 191-195. DOI: 10.1038/ja.2007.21 PMID: 17446691 | ||
| 2 | CCCC(=O)CC[C@@H]1CC[C@]2(C[C@H]3OC(=O)C(C)(C)[C@H]3O2)O1 | Wang J; Tong R Total Synthesis of Purported Cephalosporolides H and I, Penisporolide B, and Their Stereoisomers. Journal of Organic Chemistry 2016 81 (10) 4325-39. DOI: 10.1021/acs.joc.6b00788 PMID: 27137949 | ||
