Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014808
PROPERTIES
| NPAID | NPA014808 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Bacillistatin 2 |
| FORMULA | C57H96N6O18 |
| MOLECULAR WEIGHT (Da) | 1153.4190 |
| ACCURATE MASS (Da) | 1152.6781 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | silvestris |
| InChIKey | KVJGVUIUGIEWCD-RPUMXUQMSA-N |
| InChI | InChI=1S/C57H96N6O18/c1-22-32(17)44-50(68)62-39(27(7)8)53(71)77-34(19)46(64)58-41(29(11)12)55(73)79-37(24-25(3)4)49(67)61-38(26(5)6)52(70)76-35(20)47(65)59-42(30(13)14)56(74)80-45(33(18)23-2)51(69)63-40(28(9)10)54(72)78-36(21)48(66)60-43(31(15)16)57(75)81-44/h25-45H,22-24H2,1-21H3,(H,58,64)(H,59,65)(H,60,66)(H,61,67)(H,62,68)(H,63,69)/t32-,33-,34-,35-,36-,37+,38+,39+,40+,41-,42-,43-,44+,45+/m0/s1 |
| SMILES | CC[C@H](C)[C@@H]1C(=O)N[C@@H](C(=O)O[C@H](C(=O)N[C@H](C(=O)O[C@@H](C(=O)N[C@@H](C(=O)O[C@H](C(=O)N[C@H](C(=O)O[C@@H](C(=O)N[C@@H](C(=O)O[C@H](C(=O)N[C@H](C(=O)O1)C(C)C)C)C(C)C)CC(C)C)C(C)C)C)C(C)C)[C@@H](C)CC)C(C)C)C)C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Pettit, George R.; Knight, John C.; Herald, Delbert L.; Pettit, Robin K.; Hogan, Fiona; Mukku, Venugopal J. R. V.; Hamblin, John S.; Dodson II, Michael J.; Chapuis, Jean-Charles Antineoplastic agents. 570. isolation and structure elucidation of bacillistatins 1 and 2 from a marine bacillus silvestris Journal of Natural Products 2009 72 (3) 366-371. | ||
|---|---|---|---|
| DOI | 10.1021/np800603u | PMID | 19226154 |
SYNTHESES
| CITATION 1 | Pettit GR; Hu S; Knight JC; Chapuis JC Antineoplastic agents. 571. Total synthesis of bacillistatin 2. Journal of Natural Products 2009 72 (3) 372-379. DOI: 10.1021/np800607x PMID: 19216517 | ||
|---|---|---|---|
