Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA023983
PROPERTIES
| NPAID | NPA023983 |
|---|---|
| CLUSTER ID | 7332 |
| NODE ID | 5022 |
| NAME | Catenulisporolide C |
| FORMULA | C57H98O20 |
| MOLECULAR WEIGHT (Da) | 1103.3910 |
| ACCURATE MASS (Da) | 1102.6651 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Catenulispora |
| ORIGIN SPECIES | sp. |
| InChIKey | JHAMGSNGNSSQAG-QAEPOIJJSA-N |
| InChI | InChI=1S/C57H98O20/c1-30(2)21-47(75-52-28-48(56(68)37(9)72-52)76-51-27-45(63)55(67)36(8)71-51)33(5)53(65)32(4)42(60)25-46-31(3)17-13-10-11-14-18-38(58)22-40(73-50-26-44(62)54(66)35(7)70-50)23-41-24-43(61)34(6)57(69,77-41)29-39(59)19-15-12-16-20-49(64)74-46/h10-11,13-14,17-18,30-48,50-56,58-63,65-69H,12,15-16,19-29H2,1-9H3/b11-10+,17-13+,18-14+/t31-,32-,33-,34+,35+,36+,37+,38+,39+,40+,41+,42+,43-,44+,45+,46+,47-,48+,50-,51-,52-,53+,54+,55+,56+,57-/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)O)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 |
