(1S,2R,4aS,6aR,6aS,6bR,8aS,10S,12aS,14aR,14bR)-10,14a-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,14b-tetradecahydropicene-4a-carboxylic acid
Grundinformationen
- Standard-SMILES
C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@@](O)(C=C[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12- InChIKey
APGMOSJLBDURNK-RBMKHMKESA-N- Summenformel
- C30H48O4
- Durchschnittliche Molmasse
- 472,7 g/mol
- Monoisotopische Masse
- 472,35526002
Überblick
(1S,2R,4aS,6aR,6aS,6bR,8aS,10S,12aS,14aR,14bR)-10,14a-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,14b-tetradecahydropicene-4a-carboxylic acid has been reported in Nerium oleander and Psidium guajava with data available.
Namen und Bezeichner
- Bevorzugter Name
- (1S,2R,4aS,6aR,6aS,6bR,8aS,10S,12aS,14aR,14bR)-10,14a-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,14b-tetradecahydropicene-4a-carboxylic acid
- IUPAC
- (1S,2R,4aS,6aR,6aS,6bR,8aS,10S,12aS,14aR,14bR)-10,14a-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,14b-tetradecahydropicene-4a-carboxylic acid
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,4
- Polarare Oberfläche (TPSA)
- 77,8 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 34
- Formalladung
- 0
- Komplexität
- 909
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0
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