Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014967
PROPERTIES
| NPAID | NPA014967 |
|---|---|
| CLUSTER ID | 1358 |
| NODE ID | 1141 |
| NAME | Waol A |
| FORMULA | C13H16O4 |
| MOLECULAR WEIGHT (Da) | 236.2670 |
| ACCURATE MASS (Da) | 236.1049 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Volutella |
| ORIGIN SPECIES | sp. (Hypocreales, Ascomycota) (MSX 58801) |
| InChIKey | QXZDESIVIREXNJ-XQJSVKFYSA-N |
| InChI | InChI=1S/C13H16O4/c1-3-5-10-9(14)7-8-12(16-10)11(6-4-2)17-13(8)15/h3-7,9-12,14H,1-2H3/b5-3+,6-4+/t9-,10-,11+,12-/m1/s1 |
| SMILES | C/C=C/[C@@H]1OC(=O)C2=C[C@@H](O)[C@@H](/C=C/C)O[C@H]21 |
ORIGINAL ISOLATION REFERENCE
| CITATION | El-Elimat, Tamam; Figueroa, Mario; Raja, Huzefa A.; Adcock, Audrey F.; Kroll, David J.; Swanson, Steven M.; Wani, Mansukh C.; Pearce, Cedric J.; Oberlies, Nicholas H. Waol A, trans-dihydrowaol A, and cis-dihydrowaol A: Polyketide-derived γ-lactones from a Volutella species Tetrahedron Letters 2013 54 (32) 4300-4302. | ||
|---|---|---|---|
| DOI | 10.1016/j.tetlet.2013.06.008 | PMID | 23956472 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CC=C[C@@H]1[C@@H](C=C2[C@@H](O1)[C@@H](OC2=O)C=CC)O | El-Elimat, Tamam; Figueroa, Mario; Raja, Huzefa A.; Adcock, Audrey F.; Kroll, David J.; Swanson, Steven M.; Wani, Mansukh C.; Pearce, Cedric J.; Oberlies, Nicholas H. Waol A, trans-dihydrowaol A, and cis-dihydrowaol A: Polyketide-derived γ-lactones from a Volutella species Tetrahedron Letters 2013 54 (32) 4300-4302. DOI: 10.1016/j.tetlet.2013.06.008 PMID: 23956472 | ||
| 2 | C/C=C/[C@@H]1OC(=O)C2=C[C@@H](O)[C@@H](/C=C/C)O[C@H]21 | Gao, Xiaolei; Snider, Barry B Syntheses of (-)-TAN-2483A, (-)-massarilactone B, and the fusidilactone B ring system. Revision of the structures of and syntheses of (+/-)-Waol A (FD-211) and (+/-)-Waol B (FD-212). Journal of Organic Chemistry 2004 69 (17) 5517-27. DOI: 10.1021/jo0358628 PMID: 15307719 | ||
