Primary Record
RefChem:1059373
- In stock
- 3,754 g
- Purity
- 98.1 %
- CAS
- 1159096-16-8
Compound Identifiers & Properties
- CAS
- 1159096-16-8
- PubChem CID
- 44581669
- SMILES
- CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C[C@@H]([C@@H]6O)OS(=O)(=O)O)C)O5)C)CO
- Canonical SMILES
- CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](OS(=O)(=O)O)CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1
Names & Synonyms
- RefChem:1059373
- CHEBI:69123
- CHEMBL469945
- 2,3-dihydro-3beta-O-sulfate withaferin A
- DTXSID401292107
- 2,3-Dihydrowithaferin A 3I(2)-O-sulfate
- Q27137463
- 1159096-16-8
- ((1S,2R,5S,6S,7R,9R,11S,12S,15R,16S)-6-hydroxy-15-((1S)-1-((2R)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl)-2,16-dimethyl-3-oxo-8-oxapentacyclo(9.7.0.02,7.07,9.012,16)octadecan-5-yl) hydrogen sulfate
- (22R)-4beta,26-Dihydroxy-1,27-dioxo-5beta,6beta-5,6:22,27-diepoxyergost-24-en-3beta-yl hydrogen sulfate
- (3beta,4beta,5beta,6beta,22R)-4,27-dihydroxy-1,26-dioxo-5,6:22,26-diepoxyergost-24-en-3-yl hydrogen sulfate