Lyclaninol
Grundinformationen
- CAS
53755-76-3- Standard-SMILES
CC1(C)[C@H](O)[C@H](O)C[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@@H]5[C@]4(C)CC[C@@H](O)[C@]5(C)CO)CC3=CC[C@@H]12- InChIKey
MRQRSMCZZRLXJG-AGTZBQNOSA-N- Summenformel
- C30H50O4
- Durchschnittliche Molmasse
- 474,7 g/mol
- Monoisotopische Masse
- 474,37091007
Überblick
(1S,6R,8S,9R,11R,12S,15S,16R,19R,20S,21R)-20-(hydroxymethyl)-1,7,7,11,16,20-hexamethylpentacyclo[13.8.0.0³,¹².0⁶,¹¹.0¹⁶,²¹]tricos-3-ene-8,9,19-triol has been reported in Lycopodium japonicum with data available.
Namen und Bezeichner
- Bevorzugter Name
- Lyclaninol
- IUPAC
- (1S,6R,8S,9R,11R,12S,15S,16R,19R,20S,21R)-20-(hydroxymethyl)-1,7,7,11,16,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-ene-8,9,19-triol
- Englischer Name
- (4S)-C(14a)-Homo-27-norgammacer-14-ene-3α,20β,21β,23-tetrol
- Summenformel
- C30H50O4
- Molmasse
- 474.72
Namen und Synonyme
Lyclaninol53755-76-3(1S,6R,8S,9R,11R,12S,15S,16R,19R,20S,21R)-20-(hydroxymethyl)-1,7,7,11,16,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-ene-8,9,19-triol(1S,6R,8S,9R,11R,12S,15S,16R,19R,20S,21R)-20-(hydroxymethyl)-1,7,7,11,16,20-hexamethylpentacyclo(13.8.0.03,12.06,11.016,21)tricos-3-ene-8,9,19-triolRefChem:154597orb1682186TN4467AKOS032948693FS-9989H63871(4S)-C(14a)-Homo-27-norgammacer-14-ene-3|A,20|A,21|A,23-tetrolC(14a)-Homo-27-norgammacer-14-ene-3,20,21,23-tetrol, (3,4,20,21)-; (2R,3S,4aR,7aS,9aR,10S,11R,13aR,13bS,15aS,15bR)-2,3,4,4a,5,7,7a,8,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-Eicosahydro-10-(hydroxymethyl)-4,4,7a,10,13a,15b-hexamethyl-1H-cyclohepta[1,2-a:5,4-a']dinaphthalene-2,3,11-triol
Weitere Namen anzeigen
Lyclanil(4S)-C(14a)-Homo-27-norgammacer-14-ene-3α,20β,21β,23-tetrol1H-Cyclohepta[1,2-a:5,4-a']dinaphthalene-2,3,11-triol, 2,3,4,4a,5,7,7a,8,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-eicosahydro-10-(hydroxymethyl)-4,4,7a,10,13a,15b-hexamethyl-, (2R,3S,4aR,7aS,9aR,10S,11R,13aR,13bS,15aS,15bR)-
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,9
- Polarare Oberfläche (TPSA)
- 80,9 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 34
- Formalladung
- 0
- Komplexität
- 851
Physikochemische Eigenschaften
- Siedepunkt
- 582.4 · 582.4±50.0 °C(Predicted)
- Dichte
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 14.61 · 14.61±0.70(Predicted)
- CAS Datenbank
- 53755 · 53755-76-3
Chemie und Industrie
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