Primary Record
Simplexin H
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 44179336
- SMILES
- CCCC(=O)O[C@@]1(CC[C@@H]([C@@](C[C@@H]2[C@@H]3[C@H]([C@H]1O2)[C@H]([C@@H](C[C@@]3(C)OC(=O)C)O)C(C)C)(C)O)OC(=O)C)C
- Canonical SMILES
- CCCC(=O)O[C@]1(C)CC[C@H](OC(C)=O)[C@@](C)(O)C[C@H]2O[C@@H]1[C@@H]1[C@@H](C(C)C)[C@H](O)C[C@@](C)(OC(C)=O)[C@@H]12
Names & Synonyms
- Simplexin H
- J2.744.884D
- (1R,2R,3R,6S,7S,9R,10S,11R,13R,14R)-2,9-Epoxy-3-(butanoyloxy)-3,7,11-trimethyl-6,11-diacetoxy-14-isopropylbicyclo[8.4.0]tetradecane-7,13-diol
- (1R,2S,3R,5R,6R,7R,8R,9R,12S,13S)-3,12-bis(acetyloxy)-5,13-dihydroxy-3,9,13-trimethyl-6-(propan-2-yl)-15-oxatricyclo[6.6.1.02,7]pentadecan-9-yl butanoate