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CAS 93129-94-3

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

Description:
1,3-Cyclohexanediol, 4-methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R,4R)-4-hydroxy-1,5-dimethylhexyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, hydrate (1:1), (1R,3S,5Z)-, identified by CAS number 93129-94-3, is a complex organic compound characterized by its bicyclic structure and multiple functional groups. This substance features a cyclohexane ring with hydroxyl groups, contributing to its potential solubility in polar solvents. The presence of a methylene bridge and various substituents, including an octahydroindene moiety, suggests that it may exhibit interesting stereochemical properties and biological activity. The hydrate form indicates that it can associate with water molecules, which may influence its stability and reactivity. Such compounds are often studied for their potential applications in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis. The specific stereochemistry, denoted by the (1R,3S,5Z) configuration, implies that the compound may exhibit unique physical and chemical properties, including specific optical activity and reactivity patterns.
Formula:C27H44O3·H2O
InChI:InChI=1S/C27H44O3.H2O/c1-17(2)25(29)13-8-18(3)23-11-12-24-20(7-6-14-27(23,24)5)9-10-21-15-22(28)16-26(30)19(21)4;/h9-10,17-18,22-26,28-30H,4,6-8,11-16H2,1-3,5H3;1H2/b20-9+,21-10-;/t18-,22-,23-,24+,25-,26+,27-;/m1./s1
InChI key:InChIKey=UCLYOJXQGOXQKJ-XXBHHXRKSA-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](CC[C@H](C(C)C)O)C)[H])[H].O
Synonyms:
  • (1S,3R,5E,7E,24S)-9,10-secocholesta-5,7,10-triene-1,3,24-triol
  • (1S,3R,5Z,7E,24R)-9,10-secocholesta-5,7,10-triene-1,3,24-triol hydrate
  • 1,3-Cyclohexanediol, 4-methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R,4R)-4-hydroxy-1,5-dimethylhexyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, hydrate (1:1), (1R,3S,5Z)-
  • 1-alpha,24(R)-Dihydroxyvitamin D3 monohydrate
  • 1α,24(R)-Dihydroxy-vitamin D<sub>3</sub> monohydrate
  • 1α,24(R)-Dihydroxycholecalciferol monohydrate
  • 9,10-Secocholesta-5,7,10(19)-triene-1,3,24-triol, monohydrate, (1α,3β,5Z,7E,24R)-
  • Tacalcitol monohydrate
  • 1α,24(R)-Dihydroxy-vitamin D3 monohydrate
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