CAS 140710-94-7: (εR,1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-Hydroxy-2-(methylene-d2)cyclohexylidene]ethylidene-2-d]octahydro-α,α,ε,7a-tetramethyl-1H-indene-1-pentanol

Description: The chemical substance with the name "(εR,1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-Hydroxy-2-(methylene-d2)cyclohexylidene]ethylidene-2-d]octahydro-α,α,ε,7a-tetramethyl-1H-indene-1-pentanol" and CAS number "140710-94-7" is a complex organic compound characterized by its intricate stereochemistry and multiple functional groups. It features a bicyclic structure with a hydroxyl group, indicating potential for hydrogen bonding and solubility in polar solvents. The presence of multiple methyl groups suggests a degree of hydrophobicity, which may influence its interactions in biological systems. The compound's stereochemical configuration, denoted by the specific R and S designations, implies that it may exhibit chiral properties, potentially leading to different biological activities or reactivities depending on its isomeric form. Additionally, the presence of a cyclohexylidene moiety indicates potential for conformational flexibility, which can affect its overall stability and reactivity. Overall, this compound's unique structure and functional groups suggest it may have applications in fields such as pharmaceuticals or materials science, although specific properties would require empirical investigation.

Formula: C₂₇H₄₁D₃O₂

InChI: InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1/i1D2,12D

InChI key: InChIKey=JWUBBDSIWDLEOM-CMMPNOGOSA-N

SMILES: OC1CC(=CC=C2CCCC3(C)C2CCC3C(C)CCCC(O)(C)C)C(=C)CC1

Synonyms:

• (εR,1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-Hydroxy-2-(methylene-d2)cyclohexylidene]ethylidene-2-d]octahydro-α,α,ε,7a-tetramethyl-1H-indene-1-pentanol
• 6,19,19-Trideutero-25-hydroxyvitamin D3
• 1H-Indene-1-pentanol, 4-[(2Z)-2-[(5S)-5-hydroxy-2-(methylene-d2)cyclohexylidene]ethylidene-2-d]octahydro-α,α,ε,7a-tetramethyl-, (εR,1R,3aS,4E,7aR)-
• 9,10-Secocholesta-5,7,10(19)-triene-6,19,19-d3-3,25-diol, (3β,5Z,7E)-
• 25-Hydroxyvitamin D3-(6,19,19-d3)

25-HydroxyvitaMin D3-[D3] Calcifediol-D3

CAS: 140710-94-7

• Formula: C₂₇H₄₁D₃O₂
• Purity: 99%
• Molecular weight: 403.6555

Calcifediol-d3 (25-Hydroxy Vitamin D3-d3)

CAS: 140710-94-7

• Formula: C₂₇H₄₁D₃O₂
• Molecular weight: 403.67