5Beta-cholestan-3alpha-ol

CAS

516-92-7

Catalog Number

ACM516927

Category

Steroidal Compounds

Molecular Weight

388.67

Molecular Formula

C₂₇H₄₈O

MSDS COA Spec Sheet

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Specification

Synonyms

Epicoprostanol, Epicoprosterol, Epikoprosterin, epi-Coprostanol, epi-Coprosterol, Dihydrocholesterol, .alpha.-Coprostanol, 5.beta.-Cholestan-3.alpha.-ol, MolPort-003-900-991, CID91465, NSC18182, LMST04030110, NSC 18182, ZINC04683759, NCGC00167541-01, Cholestan-3-ol, (3.alpha.,5.beta.)-, Cholestan-3-ol, (3alpha,5beta)- (9CI), 516-92-7

IUPAC Name

(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

Canonical SMILES

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C

InChI Key

QYIXCDOBOSTCEI-KKFSNPNRSA-N

Boiling Point

455.5ºC at 760mmHg

Flash Point

190.7ºC

Density

0.956g/cm³

Exact Mass

388.37100

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of epi-coprostanol?

The molecular formula of epi-coprostanol is C27H48O.

When was epi-coprostanol created and modified in PubChem?

Epi-coprostanol was created on March 26, 2005, and last modified on November 25, 2023.

What is the molecular weight of epi-coprostanol?

The molecular weight of epi-coprostanol is 388.7 g/mol.

What is the IUPAC name of epi-coprostanol?

The IUPAC name of epi-coprostanol is (3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol.

What is the InChIKey of epi-coprostanol?

The InChIKey of epi-coprostanol is QYIXCDOBOSTCEI-KKFSNPNRSA-N.

How many hydrogen bond donor counts does epi-coprostanol have?

Epi-coprostanol has 1 hydrogen bond donor count.

What is the Canonical SMILES of epi-coprostanol?

The Canonical SMILES of epi-coprostanol is CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C).

What is the Monoisotopic Mass of epi-coprostanol?

The Monoisotopic Mass of epi-coprostanol is 388.370516150 g/mol.

How many rotatable bond counts does epi-coprostanol have?

Epi-coprostanol has 5 rotatable bond counts.

What is the topological polar surface area of epi-coprostanol?

The topological polar surface area of epi-coprostanol is 20.2Å².