Mer NF5003B
Grundinformationen
- CAS
159121-97-8- Standard-SMILES
CC1CCC2C(C)(C)C(O)C(O)CC2(C)C12Cc1c(O)cc(CO)c(C=O)c1O2- InChIKey
NZIVCAVTGFEAJT-UHFFFAOYSA-N- Summenformel
- C23H32O6
- Durchschnittliche Molmasse
- 404,5 g/mol
- Monoisotopische Masse
- 404,21988874
Überblick
an avian myeloblastosis virus protease inhibitor isolated from Stachybotrys; structure in first source
Namen und Bezeichner
- Bevorzugter Name
- Mer NF5003B
- IUPAC
- 2,3,4'-trihydroxy-6'-(hydroxymethyl)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-7'-carbaldehyde
Namen und Synonyme
Mer NF5003BMer-NF5003B159121-97-8RefChem:925497DTXSID20936054NCGC00347495-02(1'R-(1'alpha,2'alpha,4'aalpha,6'alpha,7'alpha,8'abeta))-3',4',4'a,5',6',7',8',8'a-Octahydro-4,6',7'-trihydroxy-6-(hydroxymethyl)-2',5',5',8'a-tetramethylspiro(benzofuran-2(3H),1'(2'H)-naphthalene)-7-carboxaldehyde2,3,4'-trihydroxy-6'-(hydroxymethyl)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-7'-carbaldehyde3',4',4'a,5',6',7',8',8'a-Octahydro-4,6',7'-trihydroxy-6-(hydroxymethyl)-2',5',5',8'a-tetramethylspiro(benzofuran-2(3H),1'(2'H)-naphthalene)-7-carboxaldehyde (1'R-(1'alpha,2'alpha,4'aalpha,6'alpha,7'alpha,8'abeta))-3',4',4'a,5',6',7',8',8'a-Octahydro-4,6',7'-trihydroxy-6-(hydroxymethyl)-2',5',5',8'a-tetramethylspiro(benzofuran-2(3H),1'(2'H)-naphthalene)-7-carboxaldehyde (1'R-(1'alpha,2'alpha,4'aalpha,6'alpha,7'alpha,8abeta))-4,6',7'-Trihydroxy-6-(hydroxymethyl)-2',5',5',8'a-tetramethyl-3',4',4'a,5',6',7',8',8'a-octahydro-2'H,3H-spiro[1-benzofuran-2,1'-naphthalene]-7-carbaldehyde4,6',7'-Trihydroxy-6-(hydroxymethyl)-2',5',5',8'a-tetramethyl-3',4',4'a,5',6',7',8',8'a-octahydro-2'H,3H-spiro[[1]benzofuran-2,1'-naphthalene]-7-carbaldehyde
Weitere Namen anzeigen
NCGC00347495-02_C23H32O6_Spiro[benzofuran-2(3H),1'(2'H)-naphthalene]-7-carboxaldehyde, 3',4',4'a,5',6',7',8',8'a-octahydro-4,6',7'-trihydroxy-6-(hydroxymethyl)-2',5',5',8'a-tetramethyl-Spiro(benzofuran-2(3H),1'(2'H)-naphthalene)-7-carboxaldehyde, 3',4',4'a,5',6',7',8',8'a-octahydro-4,6',7'-trihydroxy-6-(hydroxymethyl)-2',5',5',8'a-tetramethyl-, (1'R-(1'alpha,2'alpha,4'aalpha,6'alpha,7'alpha,8'abeta))-Spiro(benzofuran-2(3H),1'(2'H)-naphthalene)-7-carboxaldehyde, 3',4',4'a,5',6',7',8',8'a-octahydro-4,6',7'-trihydroxy-6-(hydroxymethyl)-2',5',5',8'a-tetramethyl-, (1'R-(1'alpha,2'alpha,4'aalpha,6'alpha,7'alpha,8abeta))-
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,5
- Polarare Oberfläche (TPSA)
- 107 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 29
- Formalladung
- 0
- Komplexität
- 651
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