2-[(3R,4aS,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]acetic acid
Grundinformationen
- Standard-SMILES
C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](CC(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12- InChIKey
APBROKNRJVPOME-HBLSJDSQSA-N- Summenformel
- C32H52O2
- Durchschnittliche Molmasse
- 468,8 g/mol
- Monoisotopische Masse
- 468,3967309
Überblick
2-[(3R,4aS,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]acetic acid has been reported in Artemisia argyi with data available.
Namen und Bezeichner
- Bevorzugter Name
- 2-[(3R,4aS,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]acetic acid
- IUPAC
- 2-[(3R,4aS,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]acetic acid
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 9,8
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 34
- Formalladung
- 0
- Komplexität
- 885
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