Serratriol
Grundinformationen
- CAS
13956-52-0- Standard-SMILES
CC1(C)[C@@H](O)CC[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
VYUNCIDAMBNEFU-WUKVYDFWSA-N- Summenformel
- C30H50O3
- Durchschnittliche Molmasse
- 458,7 g/mol
- Monoisotopische Masse
- 458,37599545
Überblick
(1S,6R,8S,11R,12S,15S,16R,19S,20S,21R)-20-(hydroxymethyl)-1,7,7,11,16,20-hexamethylpentacyclo[13.8.0.0³,¹².0⁶,¹¹.0¹⁶,²¹]tricos-3-ene-8,19-diol has been reported in Phlegmariurus phlegmaria, Phlegmariurus varius, and other organisms with data available.
Namen und Bezeichner
- Bevorzugter Name
- Serratriol
- IUPAC
- (3S,6R,7S,8S,11R,12S,15S,16R,19S,21R)-7-(hydroxymethyl)-3,7,11,16,20,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-8,19-diol
- Englischer Name
- (4S)-C(14a)-Homo-27-norgammacer-14-ene-3β,21α,24-triol
- Summenformel
- C30H50O3
- Molmasse
- 458.72
Namen und Synonyme
Serratriol13956-52-01H-Cyclohepta[1,2-a:5,4-a']dinaphthalene-3,11-diol, 2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-eicosahydro-4-(hydroxymethyl)-4,6a,10,10,13a,15b-hexamethyl-, (3S,4S,4aR,6aS,9aR,11S,13aR,13bS,15aS,15bR)-(3S,4S,4aR,6aS,9aR,11S,13aR,13bS,15aS,15bR)-2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-Eicosahydro-4-(hydroxymethyl)-4,6a,10,10,13a,15b-hexamethyl-1H-cyclohepta[1,2-a:5,4-a']dinaphthalene-3,11-diolorb1681703DTXSID501098267TN5000AKOS032962314FS-10331H62885(3S,4S,4aR,6aS,9aR,11S,13aR,13bS,15aS,15bR)-2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-Eicosahydro-4-(hydroxymethyl)-4,6a,10,10,13a,15b-hexamethyl-1H-cyclohepta[1,2-a:5,4-a inverted exclamation marka]dinaphthalene-3,11-diol(3S,4S,4aR,6aS,9aR,11S,13aR,13bS,15aS,15bR)-2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-Eicosahydro-4-(hydroxymethyl)-4,6a,10,10,13a,15b-hexamethyl-1H-cyclohepta[1,2-a:5,4-aa(2)]dinaphthalene-3,11-diol
Weitere Namen anzeigen
(3S,4S,4aR,6aS,9aR,11S,13aR,13bS,15aS,15bR)-4-(hydroxymethyl)-4,6a,10,10,13a,15b-hexamethyl-2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-1H-cyclohepta[1,2-a:5,4-a']dinaphthalene-3,11-diol
(3S,6R,7S,8S,11R,12S,15S,16R,19S,21R)-7-(hydroxymethyl)-3,7,11,16,20,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-8,19-diol
Datenbank-Bezeichner
- CAS
13956-52-0- PubChem CID
- 91895439
- DTXSID
DTXSID501098267
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,9
- Polarare Oberfläche (TPSA)
- 60,7 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 33
- Formalladung
- 0
- Komplexität
- 817
Physikochemische Eigenschaften
- Schmelzpunkt
- 335 · 335-336 °C
- Siedepunkt
- 566.1 · 566.1±50.0 °C(Predicted)
- Dichte
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- pka
- 14.93 · 14.93±0.70(Predicted)
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