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Basic information
- Standard SMILES
CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC- InChIKey
USZYSDMBJDPRIF-SVEJIMAYSA-N- Molecular formula
- C42H53NO15
- Average molar mass
- 811.878 g/mol
- Monoisotopic mass
- 811.34152
Names & identifiers
- Preferred name
- Aclarubicins
- IUPAC
- Methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6S)-6-methyl-5-oxooxan-2-yl]-alpha-L-lyxo-hexopyranosyl}-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
Database identifiers
- CAS
57576-44-0- PubChem CID
- 451415
- DTXSID
DTXSID1022554- ChEMBL
CHEMBL502620- ChEBI
CHEBI:74619- UNII
- 74KXF8I502
- EC Number
- 260-824-3
- Nikkaji
- J14.540H
Related reactions
2 records
Linked notes
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