Cholesteryl chloride

• Catalog Number: ACM910316
• Product Name: Cholesteryl chloride
• CAS: 910-31-6
• Category: Organic & Printed Electronics
• Synonyms: 3β-Chloro-3-deoxycholesterol
• IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-3-chloro-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
• Molecular Weight: 405.1
• Molecular Formula: C27H45Cl
• Canonical SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)Cl)C)C
• InChI: InChI=1S/C27H45Cl/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/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
• InChI Key: OTVRYZXVVMZHHW-DPAQBDIFSA-N
• Boiling Point: 488.29 ºC
• Melting Point: 94-96 ºC (lit.)
• Flash Point: 249.6ºC
• Density: 0.916 g/ml
• Appearance: Crystals
• Exact Mass: 404.32100
• Physical State: Solid
• Safety Description: S22-S24/25
• Stability: Stable under normal temperatures and pressures.
• WGK Germany: 3