Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007127
PROPERTIES
| NPAID | NPA007127 |
|---|---|
| CLUSTER ID | 3216 |
| NODE ID | 28 |
| NAME | Antrodin C |
| FORMULA | C15H24O2 |
| MOLECULAR WEIGHT (Da) | 236.3550 |
| ACCURATE MASS (Da) | 236.1776 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Antrodiella |
| ORIGIN SPECIES | albocinnamomea |
| InChIKey | QRVSAVYBBHXMDC-OJJZAMTBSA-N |
| InChI | InChI=1S/C15H24O2/c1-8-12(16)5-11-9-6-14(2,3)7-10(9)13(17)15(8,11)4/h5,8-10,12-13,16-17H,6-7H2,1-4H3/t8-,9-,10+,12+,13+,15+/m1/s1 |
| SMILES | C[C@@H]1[C@@H](O)C=C2[C@@H]3CC(C)(C)C[C@@H]3[C@H](O)[C@]21C |
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]1[C@@H](C=C2[C@]1([C@H]([C@@H]3[C@H]2CC(C3)(C)C)O)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](O)C=C2[C@@H]3CC(C)(C)C[C@@H]3[C@H](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 | ||
