Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA018125
PROPERTIES
| NPAID | NPA018125 |
|---|---|
| CLUSTER ID | 5987 |
| NODE ID | 2803 |
| NAME | Paecilospirone |
| FORMULA | C32H44O5 |
| MOLECULAR WEIGHT (Da) | 508.6990 |
| ACCURATE MASS (Da) | 508.3189 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Unknown-fungus |
| ORIGIN SPECIES | sp. |
| InChIKey | CCRSXYWJZQINJL-GWTOPCPNSA-N |
| InChI | InChI=1S/C32H44O5/c1-3-5-7-9-11-13-19-27(33)23-16-14-21-29-30(23)31(35)26(17-12-10-8-6-4-2)32(37-29)25-18-15-20-28(34)24(25)22-36-32/h14-16,18,20-21,26,31,34-35H,3-13,17,19,22H2,1-2H3/t26-,31+,32+/m1/s1 |
| SMILES | CCCCCCCCC(=O)C1=C2[C@H]([C@H]([C@]3(C4=C(CO3)C(=CC=C4)O)OC2=CC=C1)CCCCCCC)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Namikoshi, M; Kobayashi, H; Yoshimoto, T; Meguro, S; Akano, K Isolation and characterization of bioactive metabolites from marine-derived filamentous fungi collected from tropical and sub-tropical coral reefs Chemical and Pharmaceutical Bulletin 2000 48 (10) 1452-1457. | ||
|---|---|---|---|
| DOI | 10.1248/cpb.48.1452 | PMID | 11045449 |
SYNTHESES
| CITATION 1 | Yuen TY; Yang SH; Brimble MA Total synthesis of paecilospirone. Angewandte Chemie International Edition 2011 50 (36) 8350-3. DOI: 10.1002/anie.201103117 PMID: 21780263 | ||
|---|---|---|---|
