Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00012722359 | Gold | 3 |
COMPOUND NPA019651
PROPERTIES
| NPAID | NPA019651 |
|---|---|
| CLUSTER ID | 57 |
| NODE ID | 53 |
| NAME | Cytochalasin H |
| FORMULA | C30H39NO5 |
| MOLECULAR WEIGHT (Da) | 493.6440 |
| ACCURATE MASS (Da) | 493.2828 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Phomopsis |
| ORIGIN SPECIES | sp. |
| InChIKey | NAEWXXDGBKTIMN-OWTACEMYSA-N |
| InChI | InChI=1S/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18-19,23-27,33,35H,3,10,16-17H2,1-2,4-5H3,(H,31,34)/b13-9+,15-14+/t18-,19+,23-,24-,25+,26-,27+,29-,30+/m0/s1 |
| SMILES | C[C@H]1C/C=C/[C@H]2[C@@H](C(=C)[C@H]([C@@H]3[C@@]2([C@@H](/C=C/[C@](C1)(C)O)OC(=O)C)C(=O)N[C@H]3CC4=CC=CC=C4)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Beno, Mark A; Cox, Richard H; Wells, John M; Cole, Richard J; Kirksey, Jerry W; Christoph, GG Structure of a new [11] cytochalasin, cytochalasin H or kodo-cytochalasin-1 Journal of the American Chemical Society 1977 99 (12) 4123-4130. | ||
|---|---|---|---|
| DOI | 10.1021/ja00454a035 | PMID | 864107 |
