Methyl 4-(dimethylamino)-3,5,8,10-tetrahydroxy-6,13-dimethyl-9,16-dioxo-3,4,5,6,9,16-hexahydro-2H-2,6-epoxytetraceno[1,2-b]oxocine-14-carboxylate
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Basic information
- CAS
11052-69-0- Standard SMILES
COC(=O)c1c(C)ccc2c(O)c3c(cc12)C(=O)c1c2c(cc(O)c1C3=O)[C@@]1(C)O[C@@H](O2)[C@@H](O)[C@H](N(C)C)[C@H]1O- InChIKey
ZIOYGSZIUMVQSO-CWOXXLDKSA-N- Molecular formula
- C29H27NO10
- Average molar mass
- 549.532 g/mol
- Monoisotopic mass
- 549.16349606
Names & identifiers
- Preferred name
- Methyl 4-(dimethylamino)-3,5,8,10-tetrahydroxy-6,13-dimethyl-9,16-dioxo-3,4,5,6,9,16-hexahydro-2H-2,6-epoxytetraceno[1,2-b]oxocine-14-carboxylate
- IUPAC
- Methyl (2R,4R,5R,6R)-4-(dimethylamino)-3,5,8,10-tetrahydroxy-6,13-dimethyl-9,16-dioxo-3,4,5,6,9,16-hexahydro-2H-2,6-epoxytetraceno[1,2-b]oxocine-14-carboxylate
- English name
- (2R)-4α-(Dimethylamino)-3,4,5,6,9,16-hexahydro-3β,5β,8,10-tetrahydroxy-6,13-dimethyl-9,16-dioxo-2α,6α-epoxy-2H-naphthaceno[1,2-b]oxocin-14-carboxylic acid methyl ester
- Molecular formula
- C29H27NO10
- Molecular weight
- 549.53
Names & synonyms
Nogalarene(2R)-4α-(Dimethylamino)-3,4,5,6,9,16-hexahydro-3β,5β,8,10-tetrahydroxy-6,13-dimethyl-9,16-dioxo-2α,6α-epoxy-2H-naphthaceno[1,2-b]oxocin-14-carboxylic acid methyl ester2,6-Epoxy-2H-naphthaceno[1,2-b]oxocin-14-carboxylic acid, 4-(dimethylamino)-3,4,5,6,9,16-hexahydro-3,5,8,10-tetrahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, (2R,3S,4R,5R,6R)-
Database identifiers
- CAS
11052-69-0- PubChem CID
- 160953
- DTXSID
DTXSID10911719- ChEMBL
CHEMBL450779- Nikkaji
- J59.178E
Properties
Physicochemical properties
- Melting point
- 230 °C · 230 °C (decomp)
- Boiling point
- 841.6 · 841.6±65.0 °C(Predicted)
- Density
- 1.6 · 1.60±0.1 g/cm3(Predicted)
- pka
- 5.87 · 5.87±0.70(Predicted)
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Compound notes
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