6-Keto cholestanol

CAS

1175-06-0

Catalog Number

ACM1175060

Category

Steroidal Compounds

Molecular Weight

402.65

Molecular Formula

C₂₇H₄₆O₂

MSDS COA Spec Sheet

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

Specification

Synonyms

6-Ketocholestanol, AKJ-90705, CID301398, NSC178278, LT00440814, 5.alpha.-Cholestan-6-one, 3.beta.-hydroxy-, Cholestan-6-one, 3-hydroxy-, (3.beta.,5.alpha.)-, 1175-06-0, (3 beta -Hydroxy-5 alpha -cholestan-6-one, 5 alpha -Cholestan-3 beta -ol-6-one)

IUPAC Name

3-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one

Canonical SMILES

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(C4)O)C)C

InChI Key

JQMQKOQOLPGBBE-UHFFFAOYSA-N

Boiling Point

501.3ºC at 760 mmHg

Melting Point

140-142ºC

Flash Point

212.4ºC

Density

1 g/cm³

Appearance

WHITE TO SLIGHTLY YELLOW FINE CRYSTALLINE POWDER

EC Number

214-640-5

Exact Mass

402.35000

H-Bond Acceptor

H-Bond Donor

Safety Description

S24/25

WGK Germany

What is the molecular formula of 6-Keto cholestanol?

The molecular formula of 6-Keto cholestanol is C27H46O2.

What is the molecular weight of 6-Keto cholestanol?

The molecular weight of 6-Keto cholestanol is 402.7 g/mol.

What is the IUPAC name of 6-Keto cholestanol?

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

What is the InChI of 6-Keto cholestanol?

The InChI of 6-Keto cholestanol is InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,26-,27-/m1/s1.

What is the InChIKey of 6-Keto cholestanol?

The InChIKey of 6-Keto cholestanol is JQMQKOQOLPGBBE-ZNCJEFCDSA-N.

What is the canonical SMILES of 6-Keto cholestanol?

The canonical SMILES of 6-Keto cholestanol is CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(C4)O)C).

What is the isomeric SMILES of 6-Keto cholestanol?

The isomeric SMILES of 6-Keto cholestanol is C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(CC[C@@H](C4)O)C).

What is the CAS number of 6-Keto cholestanol?

The CAS number of 6-Keto cholestanol is 1175-06-0.

What is the European Community Number of 6-Keto cholestanol?

The European Community Number of 6-Keto cholestanol is 214-640-5.

What is the ChEMBL ID of 6-Keto cholestanol?

The ChEMBL ID of 6-Keto cholestanol is CHEMBL2418990.