Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
WARNING - This compound is excluded from the NP Atlas. The information displayed is for reference only.
Reason: Structure flagged during revision as not known
Citation: Myers E; Herrero-Gómez E; Albrecht I; Lachs J; Mayer P; Hanni M; Ochsenfeld C; Trauner D Total synthesis of the proposed structure of trichodermatide A. Journal of Organic Chemistry 2014 79 (20) 9812-7. DOI: 10.1021/jo501206k
COMPOUND NPA003073
PROPERTIES
| NPAID | NPA003073 |
|---|---|
| CLUSTER ID | None |
| NODE ID | None |
| NAME | Trichodermatide A |
| FORMULA | C22H32O7 |
| MOLECULAR WEIGHT (Da) | 408.4910 |
| ACCURATE MASS (Da) | 408.2148 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Trichoderma |
| ORIGIN SPECIES | reesei |
| InChIKey | KBMYUOJGZWMLOK-UJNNOPPMSA-N |
| InChI | InChI=1S/C22H32O7/c1-2-3-4-5-6-14-16-11-12-18-15(8-7-13(23)19(18)25)29-22(26)17(24)9-10-21(27-14,28-16)20(12)22/h12-14,16-17,20,23-24,26H,2-11H2,1H3/t12-,13+,14-,16+,17+,20+,21+,22+/m0/s1 |
| SMILES | CCCCCC[C@@H]1O[C@]23CC[C@@H](O)[C@@]4(O)OC5=C(C(=O)[C@H](O)CC5)[C@H](C[C@H]1O2)[C@H]34 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Sun, Yi; Tian, Li; Huang, Jian; Ma, Hong-Yu; Zheng, Zhe; Lv, A-Li; Yasukawa, Ken; Pei, Yue-Hu Trichodermatides A-D, novel polyketides from the marine-derived fungus Trichoderma reesei Organic Letters 2008 10 (3) 393-396. | ||
|---|---|---|---|
| DOI | 10.1021/ol702674f | PMID | 18163636 |
SYNTHESES
| CITATION 1 | Myers E; Herrero-Gómez E; Albrecht I; Lachs J; Mayer P; Hanni M; Ochsenfeld C; Trauner D Total synthesis of the proposed structure of trichodermatide A. Journal of Organic Chemistry 2014 79 (20) 9812-7. DOI: 10.1021/jo501206k PMID: 25166497 | ||
|---|---|---|---|
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CCCCCC[C@H]1[C@@H]2C[C@@H]3[C@@H]4[C@@](O2)(O1)CC[C@@H]([C@]4(OC5=C3C(=O)[C@@H](CC5)O)O)O | Sun, Yi; Tian, Li; Huang, Jian; Ma, Hong-Yu; Zheng, Zhe; Lv, A-Li; Yasukawa, Ken; Pei, Yue-Hu Trichodermatides A-D, novel polyketides from the marine-derived fungus Trichoderma reesei Organic Letters 2008 10 (3) 393-396. DOI: 10.1021/ol702674f PMID: 18163636 | ||
| 2 | CCCCCC[C@@H]1O[C@]23CC[C@@H](O)[C@@]4(O)OC5=C(C(=O)[C@H](O)CC5)[C@H](C[C@H]1O2)[C@H]34 | Shigehisa, Hiroki; Kikuchi, Harue; Suzuki, Tsuyoshi; Hiroya, Kou The Revised Structure of Trichodermatide A. European Journal of Organic Chemistry 2015 2015 (35) 7670-7673. DOI: 10.1002/ejoc.201501281 | ||
