Trichorabdal H
Grundinformationen
- CAS
92533-54-5- Standard-SMILES
C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@]1(COC3=O)[C@@H](OC(C)=O)CCC(C)(C)[C@H]1C=O- InChIKey
ORDKVFHKMGUXSQ-TURJNOCPSA-N- Summenformel
- C22H28O7
- Durchschnittliche Molmasse
- 404,5 g/mol
Überblick
Trichorabdal H has been reported in Isodon trichocarpus with data available.
Namen und Bezeichner
- Bevorzugter Name
- Trichorabdal H
- IUPAC
- [(1S,1'S,3'R,5S,6S,7R,9S)-3'-formyl-7-hydroxy-4',4'-dimethyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl] acetate
- Englischer Name
- (1S,2R,4'aβ,6S,7'S,9a'S)-6-(Acetyloxy)-4'a,5',6',7',8',9'-hexahydro-5'α-hydroxy-3,3-dimethyl-8'-methylene-1',9'-dioxospiro[cyclohexane-1,4'(3'H)-[1H-7,9a]methanocyclohepta[c]pyran]-2-carbaldehyde
- Summenformel
- C22H28O7
- Molmasse
- 404.45352
Namen und Synonyme
Trichorabdal H20086-59-3[(1S,1'S,3'R,5S,6S,7R,9S)-3'-formyl-7-hydroxy-4',4'-dimethyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl] acetate((1S,1'S,3'R,5S,6S,7R,9S)-3'-formyl-7-hydroxy-4',4'-dimethyl-10-methylidene-2,11-dioxospiro(3-oxatricyclo(7.2.1.01,6)dodecane-5,2'-cyclohexane)-1'-yl) acetateRefChem:933352ORDKVFHKMGUXSQ-TURJNOCPSA-(4'S-(4'alpha(2S*,6R*),4'abeta,5'alpha,7'alpha,9'aalpha))-6-(Acetyloxy)hexahydro-5'-hydroxy-3,3-dimethyl-8'-methylene-1',9'-dioxospiro(cyclohexane-1,4'(3'H)-(1H-7,9a)methanocyclohepta(c)pyran)-2-carboxaldehydeInChI=1/C22H28O7/c1-11-13-7-14(25)17-21(8-13,18(11)26)19(27)28-10-22(17)15(9-23)20(3,4)6-5-16(22)29-12(2)24/h9,13-17,25H,1,5-8,10H2,2-4H3/t13-,14-,15-,16+,17-,21+,22+/m1/s1Spiro(cyclohexane-1,4'(3'H)-(1H-7,9a)methanocyclohepta(c)pyran)-2-carboxaldehyde, 6-(acetyloxy)hexahydro-5'-hydroxy-3,3-dimethyl-8'-methylene-1',9'-dioxo-, (4'S-(4'alpha(2S*,6R*),4'abeta,5'alpha,7'alpha,9'aalpha))-(1S,2R,4'aβ,6S,7'S,9a'S)-6-(Acetyloxy)-4'a,5',6',7',8',9'-hexahydro-5'α-hydroxy-3,3-dimethyl-8'-methylene-1',9'-dioxospiro[cyclohexane-1,4'(3'H)-[1H-7,9a]methanocyclohepta[c]pyran]-2-carbaldehyde
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,5
- Polarare Oberfläche (TPSA)
- 107 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 29
- Formalladung
- 0
- Komplexität
- 814
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…