Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA023982
PROPERTIES
| NPAID | NPA023982 |
|---|---|
| CLUSTER ID | 7332 |
| NODE ID | 5022 |
| NAME | Catenulisporolide B |
| FORMULA | C58H100O20 |
| MOLECULAR WEIGHT (Da) | 1117.4180 |
| ACCURATE MASS (Da) | 1116.6808 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Catenulispora |
| ORIGIN SPECIES | sp. |
| InChIKey | MIIGOBPMKCUKCU-RSSLBOJYSA-N |
| InChI | InChI=1S/C58H100O20/c1-31(2)22-47(76-53-29-49(57(68)38(9)73-53)77-51-27-45(63)55(66)36(7)71-51)34(5)54(65)33(4)43(61)26-46-32(3)18-14-11-12-15-19-39(59)23-41(74-52-28-48(70-10)56(67)37(8)72-52)24-42-25-44(62)35(6)58(69,78-42)30-40(60)20-16-13-17-21-50(64)75-46/h11-12,14-15,18-19,31-49,51-57,59-63,65-69H,13,16-17,20-30H2,1-10H3/b12-11+,18-14+,19-15-/t32-,33-,34-,35+,36+,37+,38+,39+,40+,41+,42+,43+,44-,45+,46+,47-,48+,49+,51-,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]2C[C@@H]([C@H]([C@@](O2)(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]3C[C@H]([C@@H]([C@H](O3)C)O)O[C@H]4C[C@H]([C@@H]([C@H](O4)C)O)O)O)O)O)O)C)O)O[C@H]5C[C@H]([C@@H]([C@H](O5)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 |
