Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA006815
PROPERTIES
| NPAID | NPA006815 |
|---|---|
| CLUSTER ID | 487 |
| NODE ID | 437 |
| NAME | Prugosene A1 |
| FORMULA | C28H36O5 |
| MOLECULAR WEIGHT (Da) | 452.5910 |
| ACCURATE MASS (Da) | 452.2563 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | rugulosum |
| InChIKey | XIMIJLIJIXHXPJ-JUYFFJFISA-N |
| InChI | InChI=1S/C28H36O5/c1-18(22-19(2)17-27(6,31)21(4)32-22)15-13-11-9-8-10-12-14-16-26(5)24-20(3)23(29)28(26,7)25(30)33-24/h8-17,20-22,24,31H,1-7H3/b9-8+,12-10+,13-11+,16-14+,18-15+/t20-,21-,22+,24-,26+,27-,28-/m0/s1 |
| SMILES | CC1=C[C@](C)(O)[C@H](C)O[C@@H]1/C(C)=C/C=C/C=C/C=C/C=C/[C@]1(C)[C@H]2OC(=O)[C@]1(C)C(=O)[C@@H]2C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Lang, Gerhard; Wiese, Jutta; Schmaljohann, Rolf; Imhoff, Johannes F. New pentaenes from the sponge-derived marine fungus Penicillium rugulosum: structure determination and biosynthetic studies Tetrahedron 2007 63 (48) 11844-11849. | ||
|---|---|---|---|
| DOI | 10.1016/j.tet.2007.09.025 | PMID | - |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | C[C@@H]1[C@](C=C([C@@H](O1)/C(=C/C=C/C=C/C=C/C=C/[C@@]2([C@@H]3C(C(=O)C2(C(=O)O3)C)C)C)/C)C)(C)O | Lang, Gerhard; Wiese, Jutta; Schmaljohann, Rolf; Imhoff, Johannes F. New pentaenes from the sponge-derived marine fungus Penicillium rugulosum: structure determination and biosynthetic studies Tetrahedron 2007 63 (48) 11844-11849. DOI: 10.1016/j.tet.2007.09.025 | ||
| 2 | CC1=C[C@](C)(O)[C@H](C)O[C@@H]1/C(C)=C/C=C/C=C/C=C/C=C/[C@]1(C)[C@H]2OC(=O)[C@]1(C)C(=O)[C@@H]2C | Lin, Fu-Long; Gao, Jia-Ling; Xu, Qian; Wang, Gao-Qian; Xiao, Liang-Yan; Dong, Lu; Tang, Wei; Lv, Jian-Ming; Chen, Guo-Dong; Wang, Ying; Yin, Zhi-Nan; Lu, Li-Gong; Hu, Dan; Gao, Hao Absolute Configuration of Oxabornyl Polyenes Prugosenes A1-A3 and Structural Revision of Prugosene A2. Journal of Natural Products 2024 87 (5) 1338-1346. DOI: 10.1021/acs.jnatprod.3c01143 PMID: 38447084 | ||
