Primary Record
Simplexin E
- In stock
- 3,149 g
- Purity
- 98.8 %
- CAS
- 1154411-22-9
Compound Identifiers & Properties
- CAS
- 1154411-22-9
- PubChem CID
- 44179260
- SMILES
- CCCC(=O)O[C@H]1[C@@H]([C@@H]2[C@@H]([C@H]3C[C@]([C@H](CC[C@@]([C@@H]2O3)(C)OC(=O)CCC)OC(=O)C=C)(C)O)[C@]([C@@H]1OC(=O)C)(C)O)C(C)C
- Canonical SMILES
- C=CC(=O)O[C@H]1CC[C@@](C)(OC(=O)CCC)[C@@H]2O[C@H](C[C@]1(C)O)[C@@H]1[C@H]2[C@@H](C(C)C)[C@H](OC(=O)CCC)[C@@H](OC(C)=O)[C@@]1(C)O
Names & Synonyms
- Simplexin E
- RefChem:183100
- CHEMBL554381
- J2.744.881J
- ((1R,2R,3R,4S,5R,6S,7S,8R,10S,11S,14R)-5-acetyloxy-14-butanoyloxy-6,10-dihydroxy-6,10,14-trimethyl-11-propanoyloxy-3-propan-2-yl-15-oxatricyclo(6.6.1.02,7)pentadecan-4-yl) butanoate
- ((1R,2R,3R,4S,5R,6S,7S,8R,10S,11S,14R)-5-acetyloxy-14-butanoyloxy-6,10-dihydroxy-6,10,14-trimethyl-3-propan-2-yl-11-prop-2-enoyloxy-15-oxatricyclo(6.6.1.02,7)pentadecan-4-yl) butanoate
- (1R,2R,3R,4S,5R,6S,7S,8R,10S,11S,14R)-5-(acetyloxy)-14-(butanoyloxy)-6,10-dihydroxy-6,10,14-trimethyl-11-(prop-2-enoyloxy)-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-3,13-bis(butanoyloxy)-3,7,11-trimethyl-6-(acryloyloxy)-12-acetoxy-14-isopropylbicyclo[8.4.0]tetradecane-7,11-diol
- [(1R,2R,3R,4S,5R,6S,7S,8R,10S,11S,14R)-5-acetyloxy-14-butanoyloxy-6,10-dihydroxy-6,10,14-trimethyl-11-propanoyloxy-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecan-4-yl] butanoate
- [(1R,2R,3R,4S,5R,6S,7S,8R,10S,11S,14R)-5-acetyloxy-14-butanoyloxy-6,10-dihydroxy-6,10,14-trimethyl-3-propan-2-yl-11-prop-2-enoyloxy-15-oxatricyclo[6.6.1.02,7]pentadecan-4-yl] butanoate
- 1154411-22-9