Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA005620
PROPERTIES
| NPAID | NPA005620 |
|---|---|
| CLUSTER ID | 2732 |
| NODE ID | 2113 |
| NAME | Pteratide II |
| FORMULA | C54H80N8O10 |
| MOLECULAR WEIGHT (Da) | 1001.2800 |
| ACCURATE MASS (Da) | 1000.5997 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Pterula |
| ORIGIN SPECIES | sp. |
| InChIKey | FWWOFNCROANNII-QVDBIAKNSA-N |
| InChI | InChI=1S/C54H80N8O10/c1-16-34(7)45-53(70)60(14)44(32(4)5)54(71)72-37(10)43(56-47(64)39-25-21-18-22-26-39)52(69)59(13)41(27-31(2)3)50(67)58(12)36(9)48(65)62-30-33(6)28-42(62)51(68)57(11)35(8)46(63)55-40(49(66)61(45)15)29-38-23-19-17-20-24-38/h17-26,31-37,40-45H,16,27-30H2,1-15H3,(H,55,63)(H,56,64)/t33-,34+,35+,36+,37-,40+,41+,42+,43+,44+,45+/m1/s1 |
| SMILES | CC[C@H](C)[C@H]1C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N2C[C@@H](C[C@H]2C(=O)N([C@H](C(=O)N[C@H](C(=O)N1C)CC3=CC=CC=C3)C)C)C)C)C)CC(C)C)C)NC(=O)C4=CC=CC=C4)C)C(C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Chen, Chien-Hui; Lang, Gerhard; Mitova, Maya I.; Murphy, Annabel C.; Cole, Anthony L. J.; Din, Laily B.; Blunt, John W.; Munro, Murray H. G. Pteratides I-IV, new cytotoxic cyclodepsipeptides from the Malaysian basidiomycete Pterula sp Journal of Organic Chemistry 2006 71 (21) 7947-7951. | ||
|---|---|---|---|
| DOI | 10.1021/jo060843u | PMID | 17025281 |
