Glutinol
Grundinformationen
- CAS
545-24-4- Standard-SMILES
CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC=C5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1- InChIKey
HFSACQSILLSUII-ISSAZSKYSA-N- Summenformel
- C30H50O
- Durchschnittliche Molmasse
- 426,7 g/mol
- Monoisotopische Masse
- 426,38616621
Überblick
Glutinol is a pentacyclic triterpenoid that is picene which has been fully hydrogenated except for a double bond between the 4a and 5 positions and is substituted by methyl groups at the 4, 4, 6bbeta, 8abeta, 11, 11, 12balpha and 14bbeta positions, and by a hydroxy group at the 3beta position. It is a pentacyclic triterpenoid and a secondary alcohol.
Namen und Bezeichner
- Bevorzugter Name
- Glutinol
- IUPAC
- (3S,6aS,6aS,6bR,8aR,12aR,14aR,14bS)-4,4,6a,6b,8a,11,11,14a-octamethyl-1,2,3,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-ol
- Englischer Name
- Glutina-5-ene-3β-ol
- Summenformel
- C30H50O
- Molmasse
- 426.72
Namen und Synonyme
glutinol545-24-4epi-Alnusenolglut-5-en-3beta-ol3beta-hydroxy-5-glutineneglutin-5-en-3beta-ol(3S,6aS,6bR,8aR,12aR,12bS,14aR,14bS)-4,4,6b,8a,11,11,12b,14a-octamethyl-1,2,3,4,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-olCHEBI:63462(3S,6aS,6aS,6bR,8aR,12aR,14aR,14bS)-4,4,6a,6b,8a,11,11,14a-octamethyl-1,2,3,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-olRefChem:1437375-Glutinen-3-olD:B-Friedoolean-5-en-3beta-ol
Weitere Namen anzeigen
5-Glutinen-3β-olGlutina-5-ene-3β-olGlutina-5-ene-3β-olB-friedoolean-5-en-3β-olD:B-Friedoolean-5-en-3β-olGlutin-5-en-3β-ol/5-Glutinen-3-ol25,26-Dinorolean-5-en-3-ol, 9,13-dimethyl-, (3β,8α,9β,10α,13α,14β)-
3beta-hydroxyglutin-5-eneCHEMBL4522423beta-hydroxy-D:B-friedoolean-5-ene5-Glutinen-3beta-olglut-5-en-3-olGlutinol;5-glutinen-3-olorb1683444SCHEMBL3132609
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 9,2
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 31
- Formalladung
- 0
- Komplexität
- 790
Physikochemische Eigenschaften
- Schmelzpunkt
- 211 °C · 211 °C
- Siedepunkt
- 491.8 · 491.8±14.0 °C(Predicted)
- Dichte
- 1.01 · 1.01±0.1 g/cm3(Predicted)
- pka
- 15.06 · 15.06±0.70(Predicted)
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