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

Base Information

• Chemical Name: (3S,5S,8R,9R,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
• CAS No.: 1175-06-0
• Molecular Formula: C₂₇H₄₆O₂
• Molecular Weight: 402.661
• European Community (EC) Number: 214-640-5
• Mol file: 1175-06-0.mol

Synonyms:6-Ketocholestanol;1175-06-0;(3S,5S,8R,9R,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one;A803778;(3S,5S,8R,9R,10R,13R,14S,17R)-17-[(1S)-1,5-dimethylhexyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one

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

Chemical Property:

• Appearance/Colour: WHITE TO SLIGHTLY YELLOW FINE CRYSTALLINE POWDER
• Melting Point: 140-142 °C
• Refractive Index: 1.4480 (estimate)
• Boiling Point: 501.3 °C at 760 mmHg
• Flash Point: 212.4 °C
• PSA: 37.30000
• Density: 1 g/cm³
• LogP: 6.64760
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Methanol (Slightly, Sonicated)
• XLogP3: 7.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 402.349780706
• Heavy Atom Count: 29
• Complexity: 612

Purity/Quality:

98% ^*data from raw suppliers

6-KetoCholestanol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(C4)O)C)C
• Isomeric SMILES: 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)C
• Uses: 6-KETOCHOLESTANOL is an oxygenated cholesterol which can be used as a ligand for cytosolic-nuclear tumor promoter binding protein An oxygenated cholesterol which can be used as a ligand for cytosolic-nuclear tumor promoter binding protein.

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

There total 15 articles about (3S,5S,8R,9R,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ 3β-hydroxy-(5α)-cholestan-6-one (1175-06-0,5837-32-1,6579-82-4,21513-78-0,70223-10-8,115792-29-5)

Guidance literature:

Cholesterol, HNO3, Zn, HOAc;

Reference yield:

→ 3β-hydroxy-5α-cholestan-6-one (1175-06-0,5837-32-1,6579-82-4,21513-78-0,70223-10-8,115792-29-5)

Guidance literature:

A: aus 5,6α-Epoxy-5α-cholestanol-(3β) und BF3-Etherat in Bzl.;

DOI:10.1016/S0040-4039(01)88054-0

Reference yield:

→ 3β-hydroxy-(5ξ)-cholestan-6-one (1175-06-0,5837-32-1,6579-82-4,21513-78-0,70223-10-8,115792-29-5)

Guidance literature:

Entspr. Alkohol, Oxid.;

DOI:10.1039/C39780001099

upstream raw materials:

(5S,10R,13R,17R)-17-((R)-1,5-Dimethyl-hexyl)-3-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-6-one oxime

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

Downstream raw materials:

3β,5α-Dihydroxy-cholestan-6-on