CAS 3464-60-6

Cholesta-1,4,6-trien-3-one

Description:

Cholesta-1,4,6-trien-3-one, with the CAS number 3464-60-6, is a steroidal compound characterized by its unique triene structure, which features three double bonds in the steroid backbone. This compound is derived from cholesterol and is notable for its role in various biochemical processes, including its potential involvement in the biosynthesis of other steroid hormones. Cholesta-1,4,6-trien-3-one is typically a yellowish solid at room temperature and is soluble in organic solvents such as ethanol and chloroform, but poorly soluble in water. Its molecular structure includes a ketone functional group at the C-3 position, contributing to its reactivity and biological activity. The presence of multiple double bonds in the steroid nucleus can influence its interaction with biological membranes and enzymes. Due to its structural characteristics, this compound may be of interest in research related to steroid biochemistry, pharmacology, and the study of lipid metabolism.

Formula: C₂₇H₄₀O

InChI: InChI=1S/C27H40O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,13,15,17-19,22-25H,6-8,11-12,14,16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1

InChI key: InChIKey=NIJCHQWGAFQPFT-GYKMGIIDSA-N

SMILES: C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(C=C3)=CC(=O)C=C4)(CC1)[H])[H])(CC[C@@]2([C@@H](CCCC(C)C)C)[H])[H]

Synonyms:

• Cholesta-1,4,6-trien-3-one