Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA004403
PROPERTIES
| NPAID | NPA004403 |
|---|---|
| CLUSTER ID | 2295 |
| NODE ID | 28 |
| NAME | Antrodin D |
| FORMULA | C16H28O |
| MOLECULAR WEIGHT (Da) | 236.3990 |
| ACCURATE MASS (Da) | 236.2140 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Antrodiella |
| ORIGIN SPECIES | albocinnamomea |
| InChIKey | JXTINQFFOKAJPL-RMOZDFTMSA-N |
| InChI | InChI=1S/C16H28O/c1-9-6-12-14(17)11-7-15(3,4)8-13(11)16(12,5)10(9)2/h9-14,17H,6-8H2,1-5H3/t9-,10+,11-,12-,13+,14-,16+/m0/s1 |
| SMILES | C[C@@H]1[C@@H](C)C[C@H]2[C@@H](O)[C@H]3CC(C)(C)C[C@H]3[C@]12C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Chen, Zi-Ming; Chen, He-Ping; Wang, Fang; Li, Zheng-Hui; Feng, Tao; Liu, Ji-Kai New triquinane and gymnomitrane sesquiterpenes from fermentation of the basidiomycete Antrodiella albocinnamomea Fitoterapia 2015 102 61-66. | ||
|---|---|---|---|
| DOI | 10.1016/j.fitote.2015.02.005 | PMID | 25704368 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | C[C@H]1C[C@H]2[C@H]([C@H]3CC(C[C@H]3[C@@]2([C@H]1C)C)(C)C)O | Chen, Zi-Ming; Chen, He-Ping; Wang, Fang; Li, Zheng-Hui; Feng, Tao; Liu, Ji-Kai New triquinane and gymnomitrane sesquiterpenes from fermentation of the basidiomycete Antrodiella albocinnamomea Fitoterapia 2015 102 61-66. DOI: 10.1016/j.fitote.2015.02.005 PMID: 25704368 | ||
| 2 | C[C@@H]1[C@@H](C)C[C@H]2[C@@H](O)[C@H]3CC(C)(C)C[C@H]3[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 | ||
