1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,8a,9,10,10a-dodecahydro-8a-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-6-oxo-, (1R-(1alpha,4abeta,4balpha,8aalpha,10aalpha))-
Grundinformationen
- CAS
130252-62-9- Standard-SMILES
CC(C)C1=C[C@@]2(O)CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1=O- InChIKey
BDGVLOCEQIJJDJ-AFKBCAQJSA-N- Summenformel
- C20H30O4
- Durchschnittliche Molmasse
- 334,4 g/mol
- Monoisotopische Masse
- 334,21440943
Überblick
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,8a,9,10,10a-dodecahydro-8a-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-6-oxo-, [1R-(1alpha,4abeta,4balpha,8aalpha,10aalpha)]- has been reported in Pinus sylvestris with data available.
Namen und Bezeichner
- Bevorzugter Name
- 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,8a,9,10,10a-dodecahydro-8a-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-6-oxo-, (1R-(1alpha,4abeta,4balpha,8aalpha,10aalpha))-
- IUPAC
- (1R,4aS,4bR,8aS,10aR)-8a-hydroxy-1,4a-dimethyl-6-oxo-7-propan-2-yl-2,3,4,4b,5,9,10,10a-octahydrophenanthrene-1-carboxylic acid
Namen und Synonyme
130252-62-91-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,8a,9,10,10a-dodecahydro-8a-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-6-oxo-, (1R-(1alpha,4abeta,4balpha,8aalpha,10aalpha))-1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,8a,9,10,10a-dodecahydro-8a-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-6-oxo-, [1R-(1alpha,4abeta,4balpha,8aalpha,10aalpha)]-RefChem:233009(1R,4aS,4bR,8aS,10aR)-8a-hydroxy-1,4a-dimethyl-6-oxo-7-propan-2-yl-2,3,4,4b,5,9,10,10a-octahydrophenanthrene-1-carboxylic acidCHEMBL3797727DTXSID5011002321-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,8a,9,10,10a-dodecahydro-8a-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-6-oxo-, [1R-(1I+/-,4aI(2),4bI+/-,8aI+/-,10aI+/-)]-
Datenbank-Bezeichner
- CAS
130252-62-9- PubChem CID
- 14705598
- DTXSID
DTXSID501100232- ChEMBL
CHEMBL3797727
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,1
- Polarare Oberfläche (TPSA)
- 74,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 607
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