Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000577500 | Gold | 3 |
COMPOUND NPA028321
PROPERTIES
| NPAID | NPA028321 |
|---|---|
| CLUSTER ID | 1714 |
| NODE ID | 96 |
| NAME | Cyclosporin C |
| FORMULA | C62H111N11O13 |
| MOLECULAR WEIGHT (Da) | 1218.6340 |
| ACCURATE MASS (Da) | 1217.8363 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Trichoderma |
| ORIGIN SPECIES | polysporum |
| InChIKey | JTOKYIBTLUQVQV-QRVTZXGZSA-N |
| InChI | InChI=1S/C62H111N11O13/c1-25-26-27-39(14)52(76)51-56(80)66-49(42(17)74)60(84)67(18)32-47(75)68(19)43(28-33(2)3)55(79)65-48(37(10)11)61(85)69(20)44(29-34(4)5)54(78)63-40(15)53(77)64-41(16)57(81)70(21)45(30-35(6)7)58(82)71(22)46(31-36(8)9)59(83)72(23)50(38(12)13)62(86)73(51)24/h25-26,33-46,48-52,74,76H,27-32H2,1-24H3,(H,63,78)(H,64,77)(H,65,79)(H,66,80)/b26-25+/t39-,40+,41-,42-,43+,44+,45+,46+,48+,49+,50+,51+,52-/m1/s1 |
| SMILES | C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Traber R; Kuhn M; Rüegger A; Lichti H; Loosli RH; von Wartburg A The structure of cyclosporin C. Helvetica Chimica Acta 1977 60 (4) 1247-1255. | ||
|---|---|---|---|
| DOI | 10.1002/hlca.19770600414 | PMID | 893116 |
