Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019963
PROPERTIES
| NPAID | NPA019963 |
|---|---|
| CLUSTER ID | 6360 |
| NODE ID | 4405 |
| NAME | Antrodin E |
| FORMULA | C15H24O2 |
| MOLECULAR WEIGHT (Da) | 236.3550 |
| ACCURATE MASS (Da) | 236.1776 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Antrodiella |
| ORIGIN SPECIES | albocinnamomea |
| InChIKey | QVPJAJHBGVFNNK-LKWLHFCZSA-N |
| InChI | InChI=1S/C15H24O2/c1-10-7-14(17)6-5-13(4,16)15(14)9-12(2,3)8-11(10)15/h7,11,16-17H,5-6,8-9H2,1-4H3/t11-,13+,14+,15?/m1/s1 |
| SMILES | CC1=C[C@@]2(O)CC[C@](C)(O)C23CC(C)(C)C[C@H]13 |
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 | CC1=C[C@]2(CC[C@@](C23[C@H]1CC(C3)(C)C)(C)O)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 | CC1=C[C@@]2(O)CC[C@](C)(O)C23CC(C)(C)C[C@H]13 | 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 | ||
