CAS 97903-37-2

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

Description:

The chemical substance with the name "(1R,3S,5Z)-4-Methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R)-3-hydroxy-1-methylpropyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-1,3-cyclohexanediol" and CAS number 97903-37-2 is a complex organic compound characterized by its intricate stereochemistry and multiple functional groups. It features a bicyclic structure that includes a cyclohexane ring and an indene moiety, contributing to its potential biological activity. The presence of hydroxyl groups suggests it may exhibit hydrogen bonding capabilities, influencing its solubility and reactivity. The specific stereochemistry indicated by the R and S designations implies that the compound may have distinct optical isomers, which can affect its pharmacological properties. Additionally, the methylene and ethylene linkages in the structure may provide sites for further chemical modifications. Overall, this compound's unique structural features make it of interest in medicinal chemistry and organic synthesis, although detailed studies would be necessary to fully elucidate its properties and potential applications.

Formula: C₂₃H₃₆O₃

InChI: InChI=1S/C23H36O3/c1-15(10-12-24)20-8-9-21-17(5-4-11-23(20,21)3)6-7-18-13-19(25)14-22(26)16(18)2/h6-7,15,19-22,24-26H,2,4-5,8-14H2,1,3H3/b17-6+,18-7-/t15-,19-,20-,21+,22+,23-/m1/s1

InChI key: InChIKey=QKSLGXKBRJBRQD-NKLFQLIUSA-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](CCO)C)[H])[H]

Synonyms:

• (1R,3S,5Z)-4-Methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R)-3-hydroxy-1-methylpropyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-1,3-cyclohexanediol
• MC 1204
• 24-Nor-9,10-secochola-5,7,10(19)-triene-1,3,23-triol, (1α,3β,5Z,7E)-
• 1,3-Cyclohexanediol, 4-methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R)-3-hydroxy-1-methylpropyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5Z)-

(1S)-1,23-Dihydroxy-24,25,26,27-tetranorcalciol

Controlled Product

CAS: 97903-37-2

Formula: C₂₃H₃₆O₃

Color and Shape: Neat

Molecular weight: 360.54

Ref: TR-H478320