Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007030
PROPERTIES
| NPAID | NPA007030 |
|---|---|
| CLUSTER ID | 580 |
| NODE ID | 517 |
| NAME | Virgatolide B |
| FORMULA | C19H24O7 |
| MOLECULAR WEIGHT (Da) | 364.3940 |
| ACCURATE MASS (Da) | 364.1522 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Pestalotiopsis |
| ORIGIN SPECIES | virgatula |
| InChIKey | FZIVPEMPRYZJDQ-LPMIWMRZSA-N |
| InChI | InChI=1S/C19H24O7/c1-8-4-12-14(26-19(8)7-11(21)5-9(2)25-19)6-13-15(16(12)22)18(23)24-17(13)10(3)20/h6,8-11,17,20-22H,4-5,7H2,1-3H3/t8-,9-,10-,11+,17+,19+/m0/s1 |
| SMILES | C[C@H]1C[C@H](C[C@]2(O1)[C@H](CC3=C(O2)C=C4[C@H](OC(=O)C4=C3O)[C@H](C)O)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Li, Jian; Li, Li; Si, Yikang; Jiang, Xuejun; Guo, Liangdong; Che, Yongsheng Virgatolides A-C, benzannulated spiroketals from the plant endophytic fungus Pestalotiopsis virgatula Organic Letters 2011 13 (10) 2670-2673. | ||
|---|---|---|---|
| DOI | 10.1021/ol200770k | PMID | 21495643 |
SYNTHESES
| CITATION 1 | Hume PA; Furkert DP; Brimble MA Total synthesis of virgatolide B. Organic Letters 2013 15 (17) 4588-91. DOI: 10.1021/ol402191t PMID: 23957570 | ||
|---|---|---|---|
| CITATION 2 | Hume PA; Furkert DP; Brimble MA Total synthesis of virgatolide B via exploitation of intramolecular hydrogen bonding. Journal of Organic Chemistry 2014 79 (11) 5269-81. DOI: 10.1021/jo5008527 PMID: 24836848 | ||
