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CAS 25460-12-2

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(4aR,9S,10aS)-1,3,4,9,10,10a-Hexahydro-5,6-dimethoxy-1,1-dimethyl-7-(1-methylethyl)-2H-9,4a-(epoxymethano)phenanthren-12-one

Description:
The chemical substance with the name "(4aR,9S,10aS)-1,3,4,9,10,10a-Hexahydro-5,6-dimethoxy-1,1-dimethyl-7-(1-methylethyl)-2H-9,4a-(epoxymethano)phenanthren-12-one" and CAS number "25460-12-2" is a complex organic compound characterized by its polycyclic structure, which includes a phenanthrene core. This compound features multiple functional groups, including methoxy groups and a ketone, contributing to its chemical reactivity and potential biological activity. The stereochemistry indicated by the specific configuration at various chiral centers suggests that this compound may exhibit unique interactions in biological systems, possibly influencing its pharmacological properties. Its structural complexity may also affect its solubility, stability, and interaction with other molecules. Such compounds are often of interest in medicinal chemistry and natural product synthesis, where they may serve as lead compounds for drug development or as intermediates in synthetic pathways. Further studies would be necessary to elucidate its specific properties, including its reactivity, biological activity, and potential applications.
Formula:C22H30O4
InChI:InChI=1S/C22H30O4/c1-12(2)13-10-14-15-11-16-21(3,4)8-7-9-22(16,20(23)26-15)17(14)19(25-6)18(13)24-5/h10,12,15-16H,7-9,11H2,1-6H3/t15-,16-,22+/m0/s1
InChI key:InChIKey=BMUVJFGCCPHXOJ-PONJGIIJSA-N
SMILES:O=C1[C@@]23C=4C([C@](C[C@]2(C(C)(C)CCC3)[H])(O1)[H])=CC(C(C)C)=C(OC)C4OC
Synonyms:
  • Carnosol, di-O-methyl-
  • 2H-9,4a-(Epoxymethano)phenanthren-12-one, 1,3,4,9,10,10a-hexahydro-5,6-dimethoxy-1,1-dimethyl-7-(1-methylethyl)-, [4aR-(4aα,9α,10aβ)]-
  • (4aR,9S,10aS)-1,3,4,9,10,10a-Hexahydro-5,6-dimethoxy-1,1-dimethyl-7-(1-methylethyl)-2H-9,4a-(epoxymethano)phenanthren-12-one
  • 2H-9,4a-(Epoxymethano)phenanthren-12-one, 1,3,4,9,10,10a-hexahydro-5,6-dimethoxy-1,1-dimethyl-7-(1-methylethyl)-, (4aR,9S,10aS)-
  • Podocarpa-8,11,13-trien-17-oic acid, 7β-hydroxy-13-isopropyl-11,12-dimethoxy-, δ-lactone
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