5BETA-CHOLESTAN-3-ONE

CAS

601-53-6

Catalog Number

ACM601536

Category

Main Products

Molecular Weight

386.65

Molecular Formula

C27H46O

MSDS COA Spec Sheet

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What is the molecular formula of 5beta-cholestan-3-one?

The molecular formula is C27H46O.

What is the molecular weight of 5beta-cholestan-3-one?

The molecular weight is 386.7 g/mol.

What is the IUPAC name of 5beta-cholestan-3-one?

The IUPAC name is (5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one.

What is the InChI of 5beta-cholestan-3-one?

The InChI is InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3/t19-,20-,22+,23-,24+,25+,26+,27-/m1/s1.

What is the InChIKey of 5beta-cholestan-3-one?

The InChIKey is PESKGJQREUXSRR-JDIFZLMISA-N.

What are the synonyms of 5beta-cholestan-3-one?

The synonyms are Coprostanone, Coprostan-3-one, and 5beta-cholestanone.

What is the CAS number of 5beta-cholestan-3-one?

The CAS number is 601-53-6.

How many hydrogen bond donor counts does 5beta-cholestan-3-one have?

It has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 5beta-cholestan-3-one have?

It has 1 hydrogen bond acceptor count.

What is the topological polar surface area of 5beta-cholestan-3-one?

The topological polar surface area is 17.1Å².