Cholesterol methyl carbonate

CAS

15507-52-5

Catalog Number

ACM15507525

Category

Steroidal Compounds

Molecular Weight

444.69

Molecular Formula

C₂₉H₄₈O₃

MSDS COA Spec Sheet

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

Specification

Synonyms

CHOLESTERYL METHYL CARBONATE; CHOLESTEROL METHYL CARBONATE; Methyl Carbonic Acid Cholesterol Ester;

IUPAC Name

[(3S,8S,9S,10R,13R,14S,17R)-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]phenanthren-3-yl] methyl carbonate

InChI Key

WHMGDIMLSAAHJQ-OHPSOFBHSA-N

Boiling Point

527.1ºC at 760mmHg

Melting Point

114ºC

Flash Point

139.9ºC

Density

1.02g/cm³

Exact Mass

444.36000

H-Bond Acceptor

H-Bond Donor

WGK Germany

What is the molecular formula of cholesterol methyl carbonate?

The molecular formula of cholesterol methyl carbonate is C29H48O3.

When was cholesterol methyl carbonate created and last modified?

Cholesterol methyl carbonate was created on March 26, 2005, and last modified on November 25, 2023.

What is the molecular weight of cholesterol methyl carbonate?

The molecular weight of cholesterol methyl carbonate is 444.7 g/mol.

What is the IUPAC Name of cholesterol methyl carbonate?

The IUPAC Name of cholesterol methyl carbonate is [(3S,8S,9S,10R,13R,14S,17R)-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]phenanthren-3-yl] methyl carbonate.

What is the InChI of cholesterol methyl carbonate?

The InChI of cholesterol methyl carbonate is InChI=1S/C29H48O3/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(32-27(30)31-6)14-16-28(21,4)26(23)15-17-29(24,25)5/h10,19-20,22-26H,7-9,11-18H2,1-6H3/t20-,22+,23+,24-,25+,26+,28+,29-/m1/s1.

How many carbon, hydrogen, and oxygen atoms are in cholesterol methyl carbonate?

Cholesterol methyl carbonate contains 29 carbon, 48 hydrogen, and 3 oxygen atoms.

What is the canonical SMILES of cholesterol methyl carbonate?

The canonical SMILES of cholesterol methyl carbonate is CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)OC)C).

How many hydrogen bond acceptor counts does cholesterol methyl carbonate have?

Cholesterol methyl carbonate has 3 hydrogen bond acceptor counts.

What is the XLogP3-AA value of cholesterol methyl carbonate?

The XLogP3-AA value of cholesterol methyl carbonate is 9.5.

How many rotatable bond counts does cholesterol methyl carbonate have?

Cholesterol methyl carbonate has 8 rotatable bond counts.