Primary Record
simplexin B
- In stock
- 5,303 g
- Purity
- 99.1 %
- CAS
- 1154411-16-1
Compound Identifiers & Properties
- CAS
- 1154411-16-1
- PubChem CID
- 44179257
- SMILES
- CCCC(=O)O[C@@]1(CC[C@@H]([C@@](C[C@@H]2[C@@H]3[C@H]([C@H]1O2)[C@H](CC[C@@]3(C)OC(=O)C)C(C)C)(C)O)O)C
- Canonical SMILES
- CCCC(=O)O[C@]1(C)CC[C@H](O)[C@@](C)(O)C[C@H]2O[C@@H]1[C@H]1[C@@H]2[C@](C)(OC(C)=O)CC[C@@H]1C(C)C
Names & Synonyms
- simplexin B
- RefChem:183097
- CHEMBL562378
- J2.744.878J
- ((1R,2S,3R,6R,7R,8R,9R,12S,13S)-3-acetyloxy-12,13-dihydroxy-3,9,13-trimethyl-6-propan-2-yl-15-oxatricyclo(6.6.1.02,7)pentadecan-9-yl) butanoate
- (1R,2R,3R,6S,7S,9R,10S,11R,14R)-2,9-Epoxy-3-(butanoyloxy)-3,7,11-trimethyl-11-acetoxy-14-isopropylbicyclo[8.4.0]tetradecane-6,7-diol
- (1R,2S,3R,6R,7R,8R,9R,12S,13S)-3-(acetyloxy)-12,13-dihydroxy-3,9,13-trimethyl-6-(propan-2-yl)-15-oxatricyclo[6.6.1.02,7]pentadecan-9-yl butanoate
- [(1R,2S,3R,6R,7R,8R,9R,12S,13S)-3-acetyloxy-12,13-dihydroxy-3,9,13-trimethyl-6-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecan-9-yl] butanoate
- 1154411-16-1