Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA004559
PROPERTIES
| NPAID | NPA004559 |
|---|---|
| CLUSTER ID | 282 |
| NODE ID | 256 |
| NAME | Aranorosinol B |
| FORMULA | C26H39NO7 |
| MOLECULAR WEIGHT (Da) | 477.5980 |
| ACCURATE MASS (Da) | 477.2727 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Pseudoarachniotus |
| ORIGIN SPECIES | roseus (HIL Y-30499) |
| InChIKey | YFJWRMZGLWVCSQ-QWVPHFIZSA-N |
| InChI | InChI=1S/C26H39NO7/c1-5-6-7-8-9-15(2)12-16(3)10-11-19(29)27-18-14-26(34-24(18)30)22-20(32-22)25(31,13-17(4)28)21-23(26)33-21/h10-12,15,18,20-24,30-31H,5-9,13-14H2,1-4H3,(H,27,29)/b11-10+,16-12+/t15-,18+,20-,21+,22+,23-,24?,25?,26?/m1/s1 |
| SMILES | CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1CC2(OC1O)[C@@H]1O[C@@H]1C(O)(CC(C)=O)[C@@H]1O[C@@H]12 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Roy; Vijayakumar; Mukhopadhyay; Chatterjee; Bhat; Blumbach; Ganguli Aranorosinol A and aranorosinol B, two new metabolites from Pseudoarachniotus roseus: Production, isolation, structure elucidation and biological properties Journal of Antibiotics 1992 45 (10) 1592-1598. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.45.1592 | PMID | 1473986 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CCCCCCC(C)/C=C(\C)/C=C/C(=O)N[C@H]1CC2([C@H]3[C@H](O3)C([C@H]4[C@@H]2O4)(CC(=O)C)O)O[C@H]1O | Roy; Vijayakumar; Mukhopadhyay; Chatterjee; Bhat; Blumbach; Ganguli Aranorosinol A and aranorosinol B, two new metabolites from Pseudoarachniotus roseus: Production, isolation, structure elucidation and biological properties Journal of Antibiotics 1992 45 (10) 1592-1598. DOI: 10.7164/antibiotics.45.1592 PMID: 1473986 | ||
| 2 | CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1CC2(OC1O)[C@@H]1O[C@@H]1C(O)(CC(C)=O)[C@@H]1O[C@@H]12 | Yu, Haiyong; Tian, Yingyuan; Zong, Yan; Zhang, Jianyu; Xu, Tao Total Synthesis and Structural Reassignment of Aranorosinol A, Aranorosinol B, and EI-2128-1. Journal of Organic Chemistry 2020 85 (6) 4335-4343. DOI: 10.1021/acs.joc.0c00028 PMID: 32077282 | ||
