(1S,4R,7R,10S,13S,16S)-7-[(1S)-1-hydroxyethyl]-24-methoxy-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone
Grundinformationen
- Standard-SMILES
COc1ccc(C[C@H]2C(O)=N[C@@H](C)C(=O)N(C)[C@H]3Cc4ccc(cc4)Oc4cc(ccc4OC)C[C@@H](C(O)=N[C@H](C)C(O)=N[C@H]([C@H](C)O)C(=O)N2C)N(C)C3=O)cc1- InChIKey
NEDDNXXIOBMBCV-DGDJXHSJSA-N- Summenformel
- C42H52N6O10
- Durchschnittliche Molmasse
- 800,9 g/mol
- Monoisotopische Masse
- 800,37449186
Überblick
(1S,4R,7R,10S,13S,16S)-7-[(1S)-1-hydroxyethyl]-24-methoxy-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone has been reported in Rubia cordifolia with data available.
Namen und Bezeichner
- Bevorzugter Name
- (1S,4R,7R,10S,13S,16S)-7-[(1S)-1-hydroxyethyl]-24-methoxy-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone
- IUPAC
- (1S,4R,7R,10S,13S,16S)-7-[(1S)-1-hydroxyethyl]-24-methoxy-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,3
- Polarare Oberfläche (TPSA)
- 196 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 10
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 58
- Formalladung
- 0
- Komplexität
- 1.470
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