Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA002047
PROPERTIES
| NPAID | NPA002047 |
|---|---|
| CLUSTER ID | 1264 |
| NODE ID | 514 |
| NAME | Chondrosterin E |
| FORMULA | C15H22O2 |
| MOLECULAR WEIGHT (Da) | 234.3390 |
| ACCURATE MASS (Da) | 234.1620 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Chondrostereum |
| ORIGIN SPECIES | sp. |
| InChIKey | KIUQNTQCSXQEFM-OLNSGIQNSA-N |
| InChI | InChI=1S/C15H22O2/c1-8-5-11(16)12-9-6-14(2,3)7-10(9)13(17)15(8,12)4/h5,9-10,12-13,17H,6-7H2,1-4H3/t9-,10+,12-,13+,15+/m1/s1 |
| SMILES | CC1=CC(=O)[C@H]2[C@@H]3CC(C)(C)C[C@@H]3[C@H](O)[C@@]12C |
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 | CC1=CC(=O)[C@]2([C@@H]1[C@@H]3CC(C[C@@H]3[C@@H]2O)(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 | CC1=CC(=O)[C@H]2[C@@H]3CC(C)(C)C[C@@H]3[C@H](O)[C@@]12C | 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 | ||
