7-Deoxy-13-dihydrodaunorubicinone
Basic information
- CAS
35994-55-9- Standard SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)O)CC3- InChIKey
FCGIQQFXNIJXMK-UHFFFAOYSA-N- Molecular formula
- C21H20O7
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 384.12090297
Overview
RN given refers to parent cpd; structure given in first source
Names & identifiers
- Preferred name
- 7-Deoxy-13-dihydrodaunorubicinone
- IUPAC
- 6,9,11-trihydroxy-9-(1-hydroxyethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
- English name
- 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-
- Molecular weight
- 0
Names & synonyms
35994-55-97-Deoxy-13-dihydrodaunorubicinone7-Deoxydaunorubicinol aglyconeRefChem:1060055,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-6,9,11-trihydroxy-9-(1-hydroxyethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dioneNSC 258819DTXSID70957416FCGIQQFXNIJXMK-UHFFFAOYSA-NNSC258819NSC283832NSC-258819
Show more names
NSC-283832DAUNORUBICINOL, 7-DEOXY- AGLYCONE6,8,11-Trihydroxy-8-(1-hydroxyethyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
Database identifiers
- CAS
35994-55-9- PubChem CID
- 99903
- DTXSID
DTXSID70957416
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 651
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
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Compound notes
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