Primary Record
Valrubicin
- In stock
- 3,868 g
- Purity
- 99.6 %
- CAS
- 56124-62-0
Compound Identifiers & Properties
- CAS
- 56124-62-0
- PubChem CID
- 15403281
- SMILES
- CCCCC(=O)OCC(=O)[C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)O[C@@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)NC(=O)C(F)(F)F)O
- Canonical SMILES
- CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O
Names & Synonyms
- Valrubicin
- Valrubicin (AD-32)?
- ZINC4214612
- A14336
- 56124-62-0
- [2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-4-[(2S,4S,5S,6S)-5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] pentanoate
- 2-oxo-2-((2S,4S)-2,5,12-trihydroxy-4-(((2S,4S,5S,6S)-5-hydroxy-6-methyl-4-(2,2,2-trifluoroacetamido)tetrahydro-2H-pyran-2-yl)oxy)-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl)ethyl pentanoate
- 2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-4-{[(2S,4S,5S,6S)-5-hydroxy-6-methyl-4-(trifluoroacetamido)oxan-2-yl]oxy}-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl]ethyl pentanoate