Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA011642
PROPERTIES
| NPAID | NPA011642 |
|---|---|
| CLUSTER ID | 4479 |
| NODE ID | 416 |
| NAME | Chondrosterin C |
| FORMULA | C15H20O3 |
| MOLECULAR WEIGHT (Da) | 248.3220 |
| ACCURATE MASS (Da) | 248.1412 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Chondrostereum |
| ORIGIN SPECIES | sp. |
| InChIKey | WSKPXCBLAKXKCH-QLVOUBGMSA-N |
| InChI | InChI=1S/C15H20O3/c1-7-10(16)5-8-12(17)11-9(15(7,8)4)6-14(2,3)13(11)18/h7-8,12,17H,5-6H2,1-4H3/t7-,8+,12-,15+/m0/s1 |
| SMILES | C[C@H]1C(=O)C[C@@H]2[C@H](O)C3=C(CC(C)(C)C3=O)[C@@]21C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Li, Hou-Jin; Xie, Ying-Lu; Xie, Zhong-Liang; Chen, Ying; Lam, Chi-Keung; Lan, Wen-Jian Chondrosterins A-E, Triquinane-Type Sesquiterpenoids from Soft Coral-Associated Fungus Chondrostereum sp Marine Drugs 2012 10 (12) 627-638. | ||
|---|---|---|---|
| DOI | 10.3390/md10030627 | PMID | 22611359 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | C[C@H]1C(=O)C[C@H]2[C@@]1(C3=C([C@@H]2O)C(=O)C(C3)(C)C)C | Li, Hou-Jin; Xie, Ying-Lu; Xie, Zhong-Liang; Chen, Ying; Lam, Chi-Keung; Lan, Wen-Jian Chondrosterins A-E, Triquinane-Type Sesquiterpenoids from Soft Coral-Associated Fungus Chondrostereum sp Marine Drugs 2012 10 (12) 627-638. DOI: 10.3390/md10030627 PMID: 22611359 | ||
| 2 | C[C@H]1C(=O)C[C@@H]2[C@H](O)C3=C(CC(C)(C)C3=O)[C@@]21C | Kutateladze, Andrei G; Kuznetsov, Dmitry M Triquinanes and Related Sesquiterpenes Revisited Computationally: Structure Corrections of Hirsutanols B and D, Hirsutenol E, Cucumin B, Antrodins C-E, Chondroterpenes A and H, Chondrosterins C and E, Dichrocephone A, and Pethybrene. Journal of Organic Chemistry 2017 82 (20) 10795-10802. DOI: 10.1021/acs.joc.7b02018 PMID: 28886245 | ||
