Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA023984
PROPERTIES
| NPAID | NPA023984 |
|---|---|
| CLUSTER ID | 7332 |
| NODE ID | 5022 |
| NAME | Catenulisporolide D |
| FORMULA | C58H98O19 |
| MOLECULAR WEIGHT (Da) | 1099.4030 |
| ACCURATE MASS (Da) | 1098.6702 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Catenulispora |
| ORIGIN SPECIES | sp. |
| InChIKey | YHKHXAQVOCOLJP-CUPPDMCKSA-N |
| InChI | InChI=1S/C58H98O19/c1-32(2)24-48(76-54-31-50(58(69)39(9)73-54)77-52-29-46(64)56(67)37(7)71-52)36(6)55(66)35(5)45(63)28-47-34(4)18-14-11-12-15-19-40(59)25-43(74-53-30-49(70-10)57(68)38(8)72-53)26-42(61)23-22-33(3)44(62)27-41(60)20-16-13-17-21-51(65)75-47/h11-12,14-15,18-19,22,32,34-43,45-50,52-61,63-64,66-69H,13,16-17,20-21,23-31H2,1-10H3/b12-11+,18-14+,19-15+,33-22+/t34-,35-,36-,37+,38+,39+,40+,41+,42-,43+,45+,46+,47+,48-,49+,50+,52-,53-,54-,55+,56+,57+,58+/m0/s1 |
| SMILES | C[C@H]1/C=C/C=C/C=C/[C@H](C[C@H](C[C@H](C/C=C(/C(=O)C[C@@H](CCCCCC(=O)O[C@@H]1C[C@H]([C@H](C)[C@H]([C@@H](C)[C@H](CC(C)C)O[C@H]2C[C@H]([C@@H]([C@H](O2)C)O)O[C@H]3C[C@H]([C@@H]([C@H](O3)C)O)O)O)O)O)\C)O)O[C@H]4C[C@H]([C@@H]([C@H](O4)C)O)OC)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Son, Sangkeun; Hong, Young-Soo; Futamura, Yushi; Jang, Mina; Lee, Jae Kyoung; Heo, Kyung Taek; Ko, Sung-Kyun; Lee, Jung Sook; Takahashi, Shunji; Osada, Hiroyuki; Jang, Jae-Hyuk; Ahn, Jong Seog Catenulisporolides, Glycosylated Triene Macrolides from the Chemically Underexploited Actinomycete Catenulispora Species Organic Letters 2018 20 (22) 7234-7238. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.8b03160 | PMID | 30379079 |
