(1S,4R,4aS,6aS,6aR,6bR,8aS,10S,12aR,14bS)-10-hydroxy-1,6a,6b,9,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,10,11,12,13,14b-hexadecahydropicene-4-carboxylic acid
Grundinformationen
- Standard-SMILES
C[C@H]1CC[C@@H](C(=O)O)[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]21- InChIKey
WNSFSDRSFORRFL-CIRZUICPSA-N- Summenformel
- C29H46O3
- Durchschnittliche Molmasse
- 442,7 g/mol
- Monoisotopische Masse
- 442,34469533
Überblick
(1S,4R,4aS,6aS,6aR,6bR,8aS,10S,12aR,14bS)-10-hydroxy-1,6a,6b,9,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,10,11,12,13,14b-hexadecahydropicene-4-carboxylic acid has been reported in Rubus cochinchinensis and Rubus plicatus with data available.
Namen und Bezeichner
- Bevorzugter Name
- (1S,4R,4aS,6aS,6aR,6bR,8aS,10S,12aR,14bS)-10-hydroxy-1,6a,6b,9,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,10,11,12,13,14b-hexadecahydropicene-4-carboxylic acid
- IUPAC
- (1S,4R,4aS,6aS,6aR,6bR,8aS,10S,12aR,14bS)-10-hydroxy-1,6a,6b,9,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,10,11,12,13,14b-hexadecahydropicene-4-carboxylic acid
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 7,2
- Polarare Oberfläche (TPSA)
- 57,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 32
- Formalladung
- 0
- Komplexität
- 828
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