Hedychenone
Grundinformationen
- CAS
919103-33-6- Standard-SMILES
CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/c1ccoc1- InChIKey
MXTCKNHXBBXULO-ZJDHVTHPSA-N- Summenformel
- C20H26O2
- Durchschnittliche Molmasse
- 298,4 g/mol
- Monoisotopische Masse
- 298,19328007
Überblick
(4S,4aR,8aS)-4-[(1E)-2-(furan-3-yl)ethenyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one has been reported in Hedychium coronarium and Hedychium spicatum with data available.
Namen und Bezeichner
- Bevorzugter Name
- Hedychenone
- IUPAC
- (4S,4aR,8aS)-4-[(E)-2-(furan-3-yl)ethenyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one
- Englischer Name
- (4S)-4α-[(Z)-2-(3-Furyl)vinyl]-4a,5,6,7,8,8aβ-hexahydro-3,4aα,8,8-tetramethylnaphthalen-1(4H)-one
- Summenformel
- C20H26O2
- Molmasse
- 298.42
Namen und Synonyme
Hedychenone56324-54-0(4S,4aR,8aS)-4-[(E)-2-(furan-3-yl)ethenyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one(4S,4aR,8aS)-4-((E)-2-(furan-3-yl)ethenyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-oneRefChem:922757(4S)-4ALPHA-[(Z)-2-(3-FURYL)VINYL]-4A,5,6,7,8,8ABETA-HEXAHYDRO-3,4AALPHA,8,8-TETRAMETHYLNAPHTHALEN-1(4H)-ONECHEMBL450467orb1682445SCHEMBL29583743DTXSID401107930HY-N4062TN4189
Weitere Namen anzeigen
Hedychene(4S)-4α-[(Z)-2-(3-Furyl)vinyl]-4a,5,6,7,8,8aβ-hexahydro-3,4aα,8,8-tetramethylnaphthalen-1(4H)-one(4S,4aR,8aS)-4-[(E)-2-(3-Furyl)vinyl]-3,4a,8,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-1(4H)-naphthalenone1(4H)-Naphthalenone, 4-[(1E)-2-(3-furanyl)ethenyl]-4a,5,6,7,8,8a-hexahydro-3,4a,8,8-tetramethyl-, (4S,4aR,8aS)-
AKOS040761821919103-33-6DA-59528FS-10016CS-0024576(4S)-4|A-[(Z)-2-(3-Furyl)vinyl]-4a,5,6,7,8,8a|A-hexahydro-3,4a|A,8,8-tetramethylnaphthalen-1(4H)-one1(4H)-Naphthalenone, 4-[2-(3-furanyl)ethenyl]-4a,5,6,7,8,8a-hexahydro-3,4a,8,8-tetramethyl-, [4S-[4(E),4a,8a]]-; (4S,4aR,8aS)-4-[(1E)-2-(3-Furanyl)ethenyl]-4a,5,6,7,8,8a-hexahydro-3,4a,8,8-tetramethyl-1(4H)-naphthalenone4-[2-(3-furanyl)ethenyl]-4a,5,6,7,8,8a-hexahydro-3,4a,8,8-tetramethyl- 1(4H)-naphthalenone (Chem. Abs. name)
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,9
- Polarare Oberfläche (TPSA)
- 30,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 514
Physikochemische Eigenschaften
- Siedepunkt
- 402.2 · 402.2±44.0 °C(Predicted)
- Dichte
- 1.064 · 1.064±0.06 g/cm3(Predicted)
- InChI
- InChI=1S/C20H26O2/c1-14-12-17(21)18-19(2,3)9-5-10-20(18,4)16(14)7-6-15-8-11-22-13-15/h6-8,11-13,16,18H,5,9-10H2,1-4H3/b7-6+/t16-,18-,20+/m0/s1
- InChIKey
- MXTCKNHXBBXULO-ZJDHVTHPSA-N
- SMILES
- C1(=O)[C@]2([H])[C@](C)(CCCC2(C)C)[C@@H](/C=C/C2C=COC=2)C(C)=C1
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