Primary record
[2-[[(4aR,5S,8aR)-5-[2-[(5aS,6R,7R,9aS)-6-hydroxy-2,2,5a,7-tetramethyl-4,5,7,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]ethyl]-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-4-sulfooxyphenyl] hydrogen sulfate
- 库存
- 550 克
- 纯度
- 98.1 %
化合物标识与属性
- PubChem CID
- 455066
- SMILES
- C[C@@H]1CC[C@H]2[C@@]([C@]1(CC[C@@]3(CCC[C@@]4([C@@H]3CCC(=C4CC5=C(C=CC(=C5)OS(=O)(=O)O)OS(=O)(=O)O)C)C)C)O)(CCCC(O2)(C)C)C
- Canonical SMILES
- CC1=C(Cc2cc(OS(=O)(=O)O)ccc2OS(=O)(=O)O)[C@]2(C)CCC[C@@](C)(CC[C@@]3(O)[C@H](C)CC[C@@H]4OC(C)(C)CCC[C@@]43C)[C@H]2CC1
名称与同义词
- Shaagrockol C
- AC1L9S2O
- CHEMBL1207905
- CID455066
- CID 455066
- J2.466.425B
- (3-{[(4aR,5S,8aR)-5-{2-[(5aS,6R,7R,9aS)-6-hydroxy-2,2,5a,7-tetramethyl-decahydro-1-benzoxepin-6-yl]ethyl}-2,5,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methyl}-4-(sulfooxy)phenyl)oxidanesulfonic acid
- [2-[[(4aR,5S,8aR)-5-[2-[(5aS,6R,7R,9aS)-6-hydroxy-2,2,5a,7-tetramethyl-4,5,7,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]ethyl]-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-4-sulfooxyphenyl] hydrogen sulfate
- 2-[[(4aR,5S,8aR)-5-[2-[(5aS,6R,7R,9aS)-Decahydro-6-hydroxy-2,2,5a,7-tetramethyl-1-benzooxepin-6-yl]ethyl]-3,4,4a,5,6,7,8,8a-octahydro-2,5,8a-trimethylnaphthalene-1-yl]methyl]-1,4-benzenediol 1,4-bissulfuric acid