Primary Record
Shaagrockol B
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 455063
- SMILES
- C[C@@H]1CC[C@H]2[C@@]([C@]1(CC[C@@]3(CCC[C@@]([C@@H]3CCC(=O)C)(C)C(=O)CC4=C(C=CC(=C4)OS(=O)(=O)[O-])OS(=O)(=O)[O-])C)O)(CCCC(O2)(C)C)C.[Na+].[Na+]
- Canonical SMILES
- CC(=O)CC[C@@H]1[C@](C)(CC[C@@]2(O)[C@H](C)CC[C@@H]3OC(C)(C)CCC[C@@]32C)CCC[C@@]1(C)C(=O)Cc1cc(OS(=O)(=O)[O-])ccc1OS(=O)(=O)[O-].[Na+].[Na+]
Names & Synonyms
- Shaagrockol B
- AC1L9S2F
- CHEMBL444292
- AIDS005535
- CID455063
- [2-[2-[(1R,2R,3S)-3-[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]-1,3-dimethyl-2-(3-oxobutyl)cyclohexyl]-2-oxo-ethyl]-4-sulfooxy-phenyl] hydrogen sulfate
- 2-(2-{(3S,1R)-3-[2-((7S,8R,9R)-8-Hydroxy-3,3,7,9-tetramethyl-2-oxabicyclo[5.4.0]undec-8-yl)ethyl]-1,3-dimethyl-2-(3-oxobutyl)cyclohexyl}-2-oxoethyl)-4-(hydroxysulfonyloxy)phenyl hydroxysulfonate, sodium salt, sodium salt
- disodium [2-[2-[(1R,2R,3S)-3-[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]-1,3-dimethyl-2-(3-oxobutyl)cyclohexyl]-2-oxoethyl]-4-sulfonatooxyphenyl] sulfate