Cholesteryl bromide

CAS

516-91-6

Catalog Number

ACM516916

Category

Steroidal Compounds

Molecular Weight

449.55

Molecular Formula

C₂₇H₄₅Br

MSDS COA Spec Sheet

If you have any other questions or need other size, please get a quote.

Specification

Synonyms

(3beta)-cholest-5-en;3-bromo-,(3.beta.)-Cholest-5-ene;CHOLESTERYL BROMIDE;5-CHOLESTENE-3-BETA-BROMO;3BETA-BROMO-5-CHOLESTENE;3beta-bromocholest-5-ene;3β-Bromo-5-cholestene;Cholesteryl Bromide from Beef Fat

IUPAC Name

(3S,8S,9S,10R,13R,14S,17R)-3-bromo-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

Canonical SMILES

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)Br)C)C

InChI Key

WDRGNJZPWVRVSN-DPAQBDIFSA-N

Boiling Point

486ºC at 760mmHg

Flash Point

244.1ºC

Density

1.1g/cm³

EC Number

208-227-9

Exact Mass

448.27000

WGK Germany

What is the molecular formula of cholesteryl bromide?

The molecular formula of cholesteryl bromide is C27H45Br.

What is the molecular weight of cholesteryl bromide?

The molecular weight of cholesteryl bromide is 449.5 g/mol.

What is the CAS number of cholesteryl bromide?

The CAS number of cholesteryl bromide is 516-91-6.

What is the IUPAC name of cholesteryl bromide?

The IUPAC name of cholesteryl bromide is (3S,8S,9S,10R,13R,14S,17R)-3-bromo-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 bromide?

The InChIKey of cholesteryl bromide is WDRGNJZPWVRVSN-DPAQBDIFSA-N.

What is the XLogP3-AA value of cholesteryl bromide?

The XLogP3-AA value of cholesteryl bromide is 10.

How many hydrogen bond donor counts does cholesteryl bromide have?

Cholesteryl bromide has 0 hydrogen bond donor counts.

How many rotatable bond counts does cholesteryl bromide have?

Cholesteryl bromide has 5 rotatable bond counts.

What is the exact mass of cholesteryl bromide?

The exact mass of cholesteryl bromide is 448.27046 g/mol.

How many defined atom stereocenter counts does cholesteryl bromide have?

Cholesteryl bromide has 8 defined atom stereocenter counts.