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CAS 151006-18-7

:

calcium bis[(3R,5R)-7-{(1S,2S,6R,8S,8aR)-8-[(2,2-dimethylbutanoyl)oxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl}-3,5-dihydroxyheptanoate]

Description:
Calcium bis[(3R,5R)-7-{(1S,2S,6R,8S,8aR)-8-[(2,2-dimethylbutanoyl)oxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl}-3,5-dihydroxyheptanoate], known by its CAS number 151006-18-7, is a complex organic compound that features a calcium ion coordinated with two identical bis(heptanoate) ligands. The structure includes multiple stereocenters, indicating that it is a chiral molecule, which may exhibit specific biological activities or interactions due to its stereochemistry. The presence of hydroxyl groups suggests potential for hydrogen bonding, influencing its solubility and reactivity. This compound is likely to be involved in biochemical processes, possibly serving as a calcium supplement or a bioactive agent in pharmaceutical applications. Its intricate structure may also confer unique properties such as stability under certain conditions or specific interactions with biological macromolecules. Overall, the characteristics of this compound highlight its potential significance in both chemical and biological contexts.
Formula:C50H78CaO12
InChI:InChI=1/2C25H40O6.Ca/c2*1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29;/h2*7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29);/q;;+2/p-2/t2*15-,16-,18+,19+,20-,21-,23-;/m00./s1
SMILES:CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC(CC(CC(=O)O)O)O)C12.CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC(CC(CC(=O)O)O)O)C12.[Ca]
Synonyms:
  • (bR,dR,1S,2S,6R,8S,8aR)-8-(2,2-Dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-b,d-dihydroxy-2,6-dimethyl-1-naphthaleneheptanoic acid calcium salt (2:1)
  • 151006-18-7 {Anhydrous}
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