Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013850
PROPERTIES
| NPAID | NPA013850 |
|---|---|
| CLUSTER ID | 5020 |
| NODE ID | 3597 |
| NAME | Hirsutenol E |
| FORMULA | C15H24O3 |
| MOLECULAR WEIGHT (Da) | 252.3540 |
| ACCURATE MASS (Da) | 252.1725 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Stereum |
| ORIGIN SPECIES | hirsutum |
| InChIKey | ACSNWTKUPMYHNV-NTIQPZAJSA-N |
| InChI | InChI=1S/C15H24O3/c1-13(7-16)4-8-5-14(2)10(9(8)6-13)11(17)12-15(14,3)18-12/h8-12,16-17H,4-7H2,1-3H3/t8-,9-,10?,11-,12-,13+,14-,15-/m0/s1 |
| SMILES | C[C@@]1(CO)C[C@H]2C[C@@]3(C)C([C@H]2C1)[C@H](O)[C@@H]1O[C@@]13C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Yoo, Nam-Hee; Kim, Jong-Pyung; Yun, Bong-Sik; Ryoo, In-Ja; Lee, In-Kyoung; Yoon, Eui-Soo; Koshino, Hiroyuki; Yoo, Ick-Dong Hirsutenols D, E and F, new sesquiterpenes from the culture broth of Stereum hirsutum Journal of Antibiotics 2006 59 (2) 110-113. | ||
|---|---|---|---|
| DOI | 10.1038/ja.2006.16 | PMID | 16629412 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | C[C@]1(C[C@H]2C[C@]3(C([C@H]2C1)[C@H]4[C@@H]([C@@]3(C)O)O4)C)CO | Yoo, Nam-Hee; Kim, Jong-Pyung; Yun, Bong-Sik; Ryoo, In-Ja; Lee, In-Kyoung; Yoon, Eui-Soo; Koshino, Hiroyuki; Yoo, Ick-Dong Hirsutenols D, E and F, new sesquiterpenes from the culture broth of Stereum hirsutum Journal of Antibiotics 2006 59 (2) 110-113. DOI: 10.1038/ja.2006.16 PMID: 16629412 | ||
| 2 | C[C@@]1(CO)C[C@H]2C[C@@]3(C)C([C@H]2C1)[C@H](O)[C@@H]1O[C@@]13C | 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 | ||
