Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000478461 | Silver | Shearinine&D_130028 |
COMPOUND NPA002287
PROPERTIES
| NPAID | NPA002287 |
|---|---|
| CLUSTER ID | 17 |
| NODE ID | 17 |
| NAME | Shearinine D |
| FORMULA | C37H45NO6 |
| MOLECULAR WEIGHT (Da) | 599.7680 |
| ACCURATE MASS (Da) | 599.3247 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | sp HKI0459 |
| InChIKey | DFVYLDHDFLHIAA-UWMNKGBPSA-N |
| InChI | InChI=1S/C37H45NO6/c1-31(2)17-23-19-15-24-20(14-21(19)28(40)27(23)32(3,4)43-31)22-13-18-9-10-36(41)26-16-25(39)30-33(5,6)44-37(26,42-30)12-11-34(36,7)35(18,8)29(22)38-24/h14-18,27-28,30,38,40-41H,9-13H2,1-8H3/t18-,27+,28+,30-,34+,35+,36+,37-/m0/s1 |
| SMILES | C[C@]12CC[C@]34C(=CC(=O)[C@H](O3)C(O4)(C)C)[C@@]1(CC[C@@H]5[C@@]2(C6=C(C5)C7=CC8=C(C=C7N6)C9=CC(OC([C@H]9[C@@H]8O)(C)C)(C)C)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Xu, Minjuan; Gessner, Guido; Groth, Ingrid; Lange, Corinna; Christner, Arnulf; Bruhn, Torsten; Deng, Zhiwei; Li, Xiang; Heinemann, Stefan H.; Grabley, Susanne; Bringmann, Gerhard; Sattler, Isabel; Lin, Wenhan Shearinines D-K, new indole triterpenoids from an endophytic Penicillium sp. (strain HKI0459) with blocking activity on large-conductance calcium-activated potassium channels Tetrahedron 2007 63 (2) 435-444. | ||
|---|---|---|---|
| DOI | 10.1016/j.tet.2006.10.050 | PMID | - |
