Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024235
PROPERTIES
| NPAID | NPA024235 |
|---|---|
| CLUSTER ID | 7418 |
| NODE ID | 5075 |
| NAME | Cyclohelminthol X |
| FORMULA | C34H40ClNO9 |
| MOLECULAR WEIGHT (Da) | 642.1450 |
| ACCURATE MASS (Da) | 641.2392 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Helminthosporium |
| ORIGIN SPECIES | velutinum yone96 |
| InChIKey | KBWKWUJPGLJPHK-YEYIOALGSA-N |
| InChI | InChI=1S/C34H40ClNO9/c1-5-8-9-10-13-32-29(43)36-30(44)34(32,33(32)25(38)20(11-6-2)24(35)27(33)40)26(39)23-22-17(4)14-18(28(41)42)15-19(22)16-31(23,45)21(37)12-7-3/h6-7,11-12,17-19,22-23,45H,5,8-10,13-16H2,1-4H3,(H,41,42)(H,36,43,44)/b11-6+,12-7+/t17-,18+,19-,22+,23+,31-,32-,33-,34-/m0/s1 |
| SMILES | CCCCCC[C@@]12C(=O)NC(=O)[C@@]1([C@]23C(=O)C(=C(C3=O)Cl)/C=C/C)C(=O)[C@H]4[C@@H]5[C@H](C[C@H](C[C@H]5C[C@@]4(C(=O)/C=C/C)O)C(=O)O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Tanaka, Shizuya; Honmura, Yuna; Uesugi, Shota; Fukushi, Eri; Tanaka, Kazuaki; Maeda, Hayato; Kimura, Ken-Ichi; Nehira, Tatsuo; Hashimoto, Masaru Cyclohelminthol X, a Hexa-Substituted Spirocyclopropane from Helminthosporium velutinum yone96: Structural Elucidation, Electronic Circular Dichroism Analysis, and Biological Properties Journal of Organic Chemistry 2017 82 (11) 5574-5582. | ||
|---|---|---|---|
| DOI | 10.1021/acs.joc.7b00393 | PMID | 28467078 |
