Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015218
PROPERTIES
| NPAID | NPA015218 |
|---|---|
| CLUSTER ID | 4110 |
| NODE ID | 3052 |
| NAME | Chaxine B |
| FORMULA | C28H42O5 |
| MOLECULAR WEIGHT (Da) | 458.6390 |
| ACCURATE MASS (Da) | 458.3032 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Agrocybe |
| ORIGIN SPECIES | chaxingu |
| InChIKey | HTXUAQKMNHGMFH-PKTIBBAVSA-N |
| InChI | InChI=1S/C28H42O5/c1-17(2)18(3)7-8-19(4)22-9-10-23-21(24(30)12-13-27(22,23)5)16-26(32)33-28(6)14-11-20(29)15-25(28)31/h7-8,16-20,22-23,29H,9-15H2,1-6H3/b8-7+,21-16-/t18?,19-,20+,22-,23+,27-,28-/m1/s1 |
| SMILES | CC(C)C(C)/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C(=O)O[C@]3(C)CC[C@H](O)CC3=O)C(=O)CC[C@]12C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Choi, Jae-Hoon; Ogawa, Akihiro; Abe, Nobuo; Masuda, Kikuko; Koyama, Tomoyuki; Yazawa, Kazunaga; Kawagishi, Hirokazu Chaxines B, C, D, and E from the edible mushroom Agrocybe chaxingu Tetrahedron 2009 65 (47) 9850-9853. | ||
|---|---|---|---|
| DOI | 10.1016/j.tet.2009.09.064 | PMID | - |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CC(C)C(C)/C=C/C(C)[C@H]1CC[C@@H]\2[C@@]1(CCC(=O)/C2=C\C(=O)OC3(CCC(CC3=O)O)C)C | Choi, Jae-Hoon; Ogawa, Akihiro; Abe, Nobuo; Masuda, Kikuko; Koyama, Tomoyuki; Yazawa, Kazunaga; Kawagishi, Hirokazu Chaxines B, C, D, and E from the edible mushroom Agrocybe chaxingu Tetrahedron 2009 65 (47) 9850-9853. DOI: 10.1016/j.tet.2009.09.064 | ||
| 2 | CC(C)C(C)/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C(=O)O[C@]3(C)CC[C@H](O)CC3=O)C(=O)CC[C@]12C | Niki, Misaki; Hirata, Yushi; Nakazaki, Atsuo; Wu, Jing; Kawagishi, Hirokazu; Nishikawa, Toshio Biomimetic Synthesis of Chaxine and its Related Compounds. Journal of Organic Chemistry 2020 85 (7) 4848-4860. DOI: 10.1021/acs.joc.9b03482 PMID: 32090579 | ||
