methyl (2Z)-2-[(1R,2S,8S,10S,12R,13R,14R,17S,19R,20S,21R)-21-hydroxy-5,13,20-trimethyl-9-methylidene-4,22-dioxo-3-oxaoctacyclo[14.7.1.02,6.02,14.08,13.010,12.017,19.020,24]tetracosa-5,16(24)-dien-23-ylidene]propanoate
Grundinformationen
- Standard-SMILES
C=C1[C@H]2C[C@H]2[C@]2(C)[C@H]1CC1=C(C)C(=O)O[C@@]13[C@@H]1C4=C(C[C@@H]32)[C@H]2C[C@H]2[C@]4(C)[C@@H](O)C(=O)/C1=C(/C)C(=O)OC- InChIKey
GQSUZVYXPAKHQW-SLHMUSMESA-N- Summenformel
- C31H34O6
- Durchschnittliche Molmasse
- 502,6 g/mol
- Monoisotopische Masse
- 502,23553881
Überblick
methyl (2Z)-2-[(1R,2S,8S,10S,12R,13R,14R,17S,19R,20S,21R)-21-hydroxy-5,13,20-trimethyl-9-methylidene-4,22-dioxo-3-oxaoctacyclo[14.7.1.02,6.02,14.08,13.010,12.017,19.020,24]tetracosa-5,16(24)-dien-23-ylidene]propanoate has been reported in Chloranthus fortunei, Chloranthus japonicus, and Chloranthus serratus with data available.
Namen und Bezeichner
- Bevorzugter Name
- methyl (2Z)-2-[(1R,2S,8S,10S,12R,13R,14R,17S,19R,20S,21R)-21-hydroxy-5,13,20-trimethyl-9-methylidene-4,22-dioxo-3-oxaoctacyclo[14.7.1.02,6.02,14.08,13.010,12.017,19.020,24]tetracosa-5,16(24)-dien-23-ylidene]propanoate
- IUPAC
- methyl (2Z)-2-[(1R,2S,8S,10S,12R,13R,14R,17S,19R,20S,21R)-21-hydroxy-5,13,20-trimethyl-9-methylidene-4,22-dioxo-3-oxaoctacyclo[14.7.1.02,6.02,14.08,13.010,12.017,19.020,24]tetracosa-5,16(24)-dien-23-ylidene]propanoate
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 89,9 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 37
- Formalladung
- 0
- Komplexität
- 1.390
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