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Cholesteryl chloride

Catalog Number

ACM910316

CAS

910-31-6

Structure

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

Synonyms

3β-Chloro-3-deoxycholesterol

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

Purity

98%+

Density

0.916 g/ml

Appearance

Crystals

Active Content

95%

Physical State

Solid

Typical Applications

Use as lubricant.

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

Custom Q&A

What is the molecular formula of cholesteryl chloride?

The molecular formula of cholesteryl chloride is C27H45Cl.

What is the computed molecular weight of cholesteryl chloride?

The computed molecular weight of cholesteryl chloride is 405.1 g/mol.

What are synonyms for cholesteryl chloride?

Some synonyms for cholesteryl chloride include cholesterol chloride and 3-Chlorocholestene.

When was cholesteryl chloride created and last modified?

Cholesteryl chloride was created on 2005-03-26 and last modified on 2023-12-02.

What is the IUPAC Name of cholesteryl chloride?

The IUPAC Name of cholesteryl chloride is (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.

What is the InChIKey of cholesteryl chloride?

The InChIKey of cholesteryl chloride is OTVRYZXVVMZHHW-DPAQBDIFSA-N.

What is the CAS number of cholesteryl chloride?

The CAS number of cholesteryl chloride is 910-31-6.

What is the XLogP3-AA value of cholesteryl chloride?

The XLogP3-AA value of cholesteryl chloride is 9.8.

How many hydrogen bond donor counts does cholesteryl chloride have?

Cholesteryl chloride has 0 hydrogen bond donor counts.

What is the topological polar surface area of cholesteryl chloride?

The topological polar surface area of cholesteryl chloride is 0Å².

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