Primary Record
Simplexin D
- In stock
- 7,601 g
- Purity
- 98.5 %
- CAS
- 1154411-20-7
Compound Identifiers & Properties
- CAS
- 1154411-20-7
- PubChem CID
- 44179259
- SMILES
- CCCC(=O)O[C@H]1CC[C@@]([C@H]2[C@@H]3[C@H]([C@@H]([C@H]([C@@]([C@@H]3[C@H](O2)C[C@]1(C)O)(C)O)OC(=O)C)OC(=O)CCC)C(C)C)(C)OC(=O)CCC
- Canonical SMILES
- CCCC(=O)O[C@H]1[C@H](C(C)C)[C@@H]2[C@@H]([C@H]3C[C@](C)(O)[C@@H](OC(=O)CCC)CC[C@@](C)(OC(=O)CCC)[C@@H]2O3)[C@](C)(O)[C@@H]1OC(C)=O
Names & Synonyms
- Simplexin D
- RefChem:183099
- CHEMBL552525
- J2.744.880A
- ((1R,2R,3R,4S,5R,6S,7S,8R,10S,11S,14R)-5-acetyloxy-4,14-di(butanoyloxy)-6,10-dihydroxy-6,10,14-trimethyl-3-propan-2-yl-15-oxatricyclo(6.6.1.02,7)pentadecan-11-yl) butanoate
- (1R,2R,3R,4S,5R,6S,7S,8R,10S,11S,14R)-5-(acetyloxy)-11,14-bis(butanoyloxy)-6,10-dihydroxy-6,10,14-trimethyl-3-(propan-2-yl)-15-oxatricyclo[6.6.1.02,7]pentadecan-4-yl butanoate
- (1R,2R,3R,6S,7S,9R,10S,11S,12R,13S,14R)-2,9-Epoxy-3,6,13-tris(butanoyloxy)-3,7,11-trimethyl-12-acetoxy-14-isopropylbicyclo[8.4.0]tetradecane-7,11-diol
- [(1R,2R,3R,4S,5R,6S,7S,8R,10S,11S,14R)-5-acetyloxy-4,14-di(butanoyloxy)-6,10-dihydroxy-6,10,14-trimethyl-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecan-11-yl] butanoate
- 1154411-20-7