Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025800
PROPERTIES
| NPAID | NPA025800 |
|---|---|
| CLUSTER ID | 7802 |
| NODE ID | 163 |
| NAME | Sarocladione |
| FORMULA | C27H42O3 |
| MOLECULAR WEIGHT (Da) | 414.6300 |
| ACCURATE MASS (Da) | 414.3134 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Sarocladium |
| ORIGIN SPECIES | kiliense |
| InChIKey | CTVFUHVTIXHOAY-RMECLSQYSA-N |
| InChI | InChI=1S/C27H42O3/c1-17(2)19(4)10-11-20(5)22-13-14-23-25(29)26-24(28)16-21(30-26)12-9-18(3)8-7-15-27(22,23)6/h8,10-11,17,19-23,26H,7,9,12-16H2,1-6H3/b11-10+,18-8+/t19-,20+,21-,22+,23-,26+,27+/m0/s1 |
| SMILES | C/C1=C\CC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]2C(=O)[C@@H]2O[C@@H](CC1)CC2=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Fan, Shao-Qiang; Xie, Chun-Lan; Xia, Jin-Mei; Xing, Cui-Ping; Luo, Zhu-Hua; Shao, Zongze; Yan, Xiao-Jun; He, Shan; Yang, Xian-Wen Sarocladione, a unique 5,10:8,9-diseco-steroid from the deep-sea-derived fungus: Sarocladium kiliense Organic & Biomolecular Chemistry 2019 17 (24) 5925-5928. | ||
|---|---|---|---|
| DOI | 10.1039/c9ob01159e | PMID | 31165123 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | C/C1=C\CC[C@@]2(C)[C@@H](CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C)C(=O)[C@@H]2CC(=O)C[C@@H](CC1)O2 | Fan, Shao-Qiang; Xie, Chun-Lan; Xia, Jin-Mei; Xing, Cui-Ping; Luo, Zhu-Hua; Shao, Zongze; Yan, Xiao-Jun; He, Shan; Yang, Xian-Wen Sarocladione, a unique 5,10:8,9-diseco-steroid from the deep-sea-derived fungus: Sarocladium kiliense Organic & Biomolecular Chemistry 2019 17 (24) 5925-5928. DOI: 10.1039/c9ob01159e PMID: 31165123 | ||
| 2 | C/C1=C\CC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]2C(=O)[C@@H]2O[C@@H](CC1)CC2=O | Ning, Yuhan; Tian, Hailong; Gui, Jinghan Biogenesis-Guided Synthesis and Structural Revision of Sarocladione Enabled by Ruthenium-Catalyzed Endoperoxide Fragmentation. Angewandte Chemie International Edition 2021 60 (20) 11222-11226. DOI: 10.1002/anie.202101451 PMID: 33682234 | ||
