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CAS 86701-33-9

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(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,3S)-3,5-Dihydroxy-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-1,3-cyclohexanediol

Description:
The chemical substance with the name "(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,3S)-3,5-Dihydroxy-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-1,3-cyclohexanediol" and CAS number "86701-33-9" is a complex organic compound characterized by multiple stereocenters and a unique structural framework. It features a cyclohexanediol moiety, which contributes to its potential biological activity and solubility properties. The presence of hydroxyl groups suggests that it may exhibit hydrogen bonding capabilities, influencing its interactions in biological systems. The compound's stereochemistry indicates that it may have specific conformational properties that could affect its reactivity and binding affinity to biological targets. Additionally, the presence of multiple rings and functional groups suggests potential applications in pharmaceuticals or as a synthetic intermediate in organic chemistry. Overall, this compound's intricate structure and functional groups make it a subject of interest for further research in medicinal chemistry and related fields.
Formula:C27H44O4
InChI:InChI=1/C27H44O4/c1-17(13-22(29)16-26(3,4)31)23-10-11-24-19(7-6-12-27(23,24)5)8-9-20-14-21(28)15-25(30)18(20)2/h8-9,17,21-25,28-31H,2,6-7,10-16H2,1,3-5H3/b19-8+,20-9-/t17-,21+,22+,23-,24+,25-,27-/m1/s1
InChI key:InChIKey=NHRGJVVEKNHIIE-KWJCNBFNSA-N
SMILES:C[C@@]12[C@](\C(=C\C=C\3/C(=C)[C@@H](O)C[C@H](O)C3)\CCC1)(CC[C@@]2([C@@H](C[C@@H](CC(C)(C)O)O)C)[H])[H]
Synonyms:
  • 9,10-Secocholesta-5,7,10(19)-triene-1,3,23,25-tetrol, (1α,3β,5Z,7E,23S)-
  • (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,3S)-3,5-Dihydroxy-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-1,3-cyclohexanediol
  • 1alpha,23(S),25-trihydroxyvitamin D3
  • Ro 23-2019
  • 1,23,25-trihydroxyvitamin D3
  • 1,3-Cyclohexanediol, 5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,3S)-3,5-dihydroxy-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1R,3S,5Z)-
  • 1,23(S),25-Trihydroxyvitamin D3
  • See more synonyms
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