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CAS 5947-49-9

:

(1S,4aS,10aR)-1,2,3,4,4a,9,10,10a-Octahydro-6-hydroxy-1,4a-dimethyl-1-phenanthrenecarboxylic acid

Description:
The chemical substance known as (1S,4aS,10aR)-1,2,3,4,4a,9,10,10a-Octahydro-6-hydroxy-1,4a-dimethyl-1-phenanthrenecarboxylic acid, with the CAS number 5947-49-9, is a complex organic compound characterized by its polycyclic structure, which includes multiple fused rings typical of phenanthrene derivatives. This compound features a hydroxyl group (-OH) and a carboxylic acid group (-COOH), contributing to its potential as a bioactive molecule. The stereochemistry indicated by the IUPAC name suggests specific spatial arrangements of its atoms, which can influence its reactivity and interactions with biological systems. The presence of methyl groups enhances its hydrophobic character, while the hydroxyl and carboxylic acid functionalities introduce polar characteristics, allowing for potential solubility in various solvents. Such compounds may exhibit interesting pharmacological properties, making them of interest in medicinal chemistry and natural product research. Overall, the unique structural features of this substance contribute to its chemical behavior and potential applications in various fields.
Formula:C17H22O3
InChI:InChI=1/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h4,6,10,14,18H,3,5,7-9H2,1-2H3,(H,19,20)
InChI key:InChIKey=VJILEYKNALCDDV-OIISXLGYSA-N
SMILES:C[C@@]12[C@]([C@](C(O)=O)(C)CCC1)(CCC=3C2=CC(O)=CC3)[H]
Synonyms:
  • (1S)-1,2,3,4,4a,9,10,10a-Octahydro-6-hydroxy-1,4a-dimethyl-1-phenanthrenecarboxylic acid
  • (1S,4aS,10aR)-1,2,3,4,4a,9,10,10a-Octahydro-6-hydroxy-1,4a-dimethyl-1-phenanthrenecarboxylic acid
  • (1S,4aS,10aR)-1,2,3,4,4a,9,10,10a-octahydro-6-hydroxy-1,4a-dimethylphenanthrene-1-carboxylic acid
  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-6-hydroxy-1,4a-dimethyl-, (1S,4aS,10aR)-
  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-6-hydroxy-1,4a-dimethyl-, [1S-(1α,4aα,10aβ)]-
  • 12-Hydroxypodocarpa-8,11,13-Trien-15-Oic Acid
  • 12-Hydroxypodocarpa-8,11,13-Trien-16-Oic Acid
  • NSC 231784
  • Podocarpa-8,11,13-trien-16-oic acid, 12-hydroxy-
  • Podocarpic acid (resin acid)
  • See more synonyms
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Purity (%)
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100
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0
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50
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90
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95
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100
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