[(3S,4aR,6aR,6bS,8aR,11R,12S,12aS,14aR,14bR)-4,4,6a,6b,11,12,14b-heptamethyl-1,2,3,4a,5,6,7,8,8a,9,10,11,12,12a,14,14a-hexadecahydropicen-3-yl] acetate
Grundinformationen
- Standard-SMILES
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@H]5[C@H](CC[C@@H](C)[C@@H]5C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C- InChIKey
ZLVFNTFGMGNHIG-NFKZCLLYSA-N- Summenformel
- C31H50O2
- Durchschnittliche Molmasse
- 454,7 g/mol
- Monoisotopische Masse
- 454,38108084
Überblick
[(3S,4aR,6aR,6bS,8aR,11R,12S,12aS,14aR,14bR)-4,4,6a,6b,11,12,14b-heptamethyl-1,2,3,4a,5,6,7,8,8a,9,10,11,12,12a,14,14a-hexadecahydropicen-3-yl] acetate has been reported in Shorea robusta with data available.
Namen und Bezeichner
- Bevorzugter Name
- [(3S,4aR,6aR,6bS,8aR,11R,12S,12aS,14aR,14bR)-4,4,6a,6b,11,12,14b-heptamethyl-1,2,3,4a,5,6,7,8,8a,9,10,11,12,12a,14,14a-hexadecahydropicen-3-yl] acetate
- IUPAC
- [(3S,4aR,6aR,6bS,8aR,11R,12S,12aS,14aR,14bR)-4,4,6a,6b,11,12,14b-heptamethyl-1,2,3,4a,5,6,7,8,8a,9,10,11,12,12a,14,14a-hexadecahydropicen-3-yl] acetate
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 9,2
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 33
- Formalladung
- 0
- Komplexität
- 840
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