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Structure

Cholesteryl nonadecanoate

CAS
25605-90-7
Catalog Number
ACM25605907
Category
Main Products; Cholesteryl Esters
Molecular Weight
667.2
Molecular Formula
C46H82O2

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Specification

Synonyms
3β-Hydroxy-5-cholestene nonadecanoate
IUPAC Name
Cholesterylnonadecanoat
Appearance
Solid
CNo.Chain
C19:0
Compound Derivative
Nonadecanoate
Exact Mass
666.63100
Physical State
Solid
What is the molecular formula of cholesteryl nonadecanoate?

The molecular formula of cholesteryl nonadecanoate is C46H82O2.

What are the synonyms of cholesteryl nonadecanoate?

The synonyms of cholesteryl nonadecanoate are 19:0 Cholesterol ester and cholest-5-en-3beta-yl nonadecanoate.

What is the molecular weight of cholesteryl nonadecanoate?

The molecular weight of cholesteryl nonadecanoate is 667.1 g/mol.

What is the IUPAC name of cholesteryl nonadecanoate?

The IUPAC name of cholesteryl nonadecanoate 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] nonadecanoate.

What is the InChI of cholesteryl nonadecanoate?

The InChI of cholesteryl nonadecanoate is InChI=1S/C46H82O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-44(47)48-39-31-33-45(5)38(35-39)27-28-40-42-30-29-41(37(4)25-23-24-36(2)3)46(42,6)34-32-43(40)45/h27,36-37,39-43H,7-26,28-35H2,1-6H3/t37-,39+,40+,41-,42+,43+,45+,46-/m1/s1.

What is the InChIKey of cholesteryl nonadecanoate?

The InChIKey of cholesteryl nonadecanoate is VHYWECIJXTVRSG-TVDLSCFRSA-N.

What is the canonical SMILES of cholesteryl nonadecanoate?

The canonical SMILES of cholesteryl nonadecanoate is CCCCCCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C.

What is the CAS number of cholesteryl nonadecanoate?

The CAS number of cholesteryl nonadecanoate is 25605-90-7.

How many hydrogen bond donor counts does cholesteryl nonadecanoate have?

Cholesteryl nonadecanoate has 0 hydrogen bond donor counts.

How many rotatable bond counts does cholesteryl nonadecanoate have?

Cholesteryl nonadecanoate has 24 rotatable bond counts.

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