Methyl 4-(dimethylamino)-3,5,8,10,13-pentahydroxy-6,13-dimethyl-9,16-dioxo-3,4,5,6,9,11,12,13,14,16-decahydro-2H-2,6-epoxytetraceno[1,2-b]oxocine-14-carboxylate
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Grundinformationen
- CAS
62422-00-8- Standard-SMILES
COC(=O)C1c2cc3c(c(O)c2CCC1(C)O)C(=O)c1c(O)cc2c(c1C3=O)OC1OC2(C)C(O)C(N(C)C)C1O- InChIKey
LIUWFJINGKUEER-UHFFFAOYSA-N- Summenformel
- C29H31NO11
- Durchschnittliche Molmasse
- 569,563 g/mol
- Monoisotopische Masse
- 569,18971081
Namen und Bezeichner
- Bevorzugter Name
- Methyl 4-(dimethylamino)-3,5,8,10,13-pentahydroxy-6,13-dimethyl-9,16-dioxo-3,4,5,6,9,11,12,13,14,16-decahydro-2H-2,6-epoxytetraceno[1,2-b]oxocine-14-carboxylate
- IUPAC
- Methyl 4-(dimethylamino)-3,5,8,10,13-pentahydroxy-6,13-dimethyl-9,16-dioxo-3,4,5,6,9,11,12,13,14,16-decahydro-2H-2,6-epoxytetraceno[1,2-b]oxocine-14-carboxylate
- Englischer Name
- (2R)-4α-(Dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3β,5β,8,10,13α-pentahydroxy-6,13-dimethyl-9,16-dioxo-2α,6α-epoxy-2H-naphthaceno[1,2-b]oxocin-14α-carboxylic acid methyl ester
- Summenformel
- C29H31NO11
- Molmasse
- 569.56
Namen und Synonyme
NSC-1143457-Deoxynogalarol(2R)-4α-(Dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3β,5β,8,10,13α-pentahydroxy-6,13-dimethyl-9,16-dioxo-2α,6α-epoxy-2H-naphthaceno[1,2-b]oxocin-14α-carboxylic acid methyl ester(2R)-3,4,5,6,9,11,12,13,14,16-Decahydro-4α-(dimethylamino)-3β,5β,8,10,13α-pentahydroxy-6,13-dimethyl-9,16-dioxo-2α,6α-epoxy-2H-naphthaceno[1,2-b]oxocin-14α-carboxylic acid methyl ester2,6-Epoxy-2H-naphthaceno[1,2-b]oxocin-14-carboxylic acid, 4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,5,8,10,13-pentahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, [2R-(2α,3β,4α,5β,6α,13α,14α)]- (9CI)
Datenbank-Bezeichner
- CAS
62422-00-8- PubChem CID
- 151719
- DTXSID
DTXSID30978001- ChEMBL
CHEMBL351928
Eigenschaften
Physikochemische Eigenschaften
- Siedepunkt
- 633.05 °C · 633.05°C (rough estimate)
- Dichte
- 1.3491 · 1.3491 (rough estimate)
- Brechungsindex
- 1.629 · 1.6290 (estimate)
- pka
- 6.518 · 6.518±0.70(predicted)
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