Cholesterol methyl carbonate

• Catalog Number: ACM15507525
• Product Name: Cholesterol methyl carbonate
• CAS: 15507-52-5
• Category: Steroidal Compounds
• 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
• Molecular Weight: 444.69
• Molecular Formula: C₂₉H₄₈O₃
• 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: 3
• H-Bond Donor: 0
• WGK Germany: 3

Custom Q&A

What is the molecular formula of cholesterol methyl carbonate?

The molecular formula of cholesterol methyl carbonate is C29H48O3.

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.

What is the InChIKey of cholesterol methyl carbonate?

The InChIKey of cholesterol methyl carbonate is WHMGDIMLSAAHJQ-OHPSOFBHSA-N.

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)C.

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

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

How many hydrogen bond donor counts are there in cholesterol methyl carbonate?

There are 0 hydrogen bond donor counts in cholesterol methyl carbonate.

How many rotatable bond counts are there in cholesterol methyl carbonate?

There are 8 rotatable bond counts in cholesterol methyl carbonate.