(8R,10S,13S,17S)-17-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Base Information

• Chemical Name: (8R,10S,13S,17S)-17-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
• CAS No.: 2126-37-6
• Molecular Formula: C19H28 O3
• Molecular Weight: 304.43
• Wikidata: Q76869995
• Mol file: 2126-37-6.mol

Synonyms:AKOS030489878

Chemical Property of (8R,10S,13S,17S)-17-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Chemical Property:

• Vapor Pressure: 1.73E-11mmHg at 25°C
• Melting Point: 197 °C
• Boiling Point: 486.1°C at 760 mmHg
• PKA: 14.93±0.10(Predicted)
• Flash Point: 261.9°C
• PSA: 57.53000
• Density: 1.19g/cm³
• LogP: 2.85160
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 304.20384475
• Heavy Atom Count: 22
• Complexity: 525

Purity/Quality:

97% ^*data from raw suppliers

4-HYDROXY-TESTOSTERONE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-40-63
• Safety Statements: 22-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34CO
• Isomeric SMILES: C[C@]12CCC3[C@H](C1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34CO
• Uses: 19-Hydroxy Testosterone, is a metabolite of Testosterone (T155000).

Technology Process of (8R,10S,13S,17S)-17-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

There total 2 articles about (8R,10S,13S,17S)-17-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-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:

Androstenedione (63-05-8) → estradiol (50-28-2) + Estrone (53-16-7) + testosterone (58-22-0) + androstanedione (846-46-8) + 19-hydroxytestosterone (2126-37-6) + androstanediol (1852-53-5)

Guidance literature:

With L-glutamine; carbon dioxide; Eagle's minimum essential medium; granulosa cells of human follicles; penicillin G; AmBisome; streptomicin; fetal calf serum; at 36 ℃; for 24h; Product distribution; <4-14C>-labelled, metabolism, further in theca cells;

DOI:10.1016/0039-128X(82)90066-6

Reference yield:

testosterone (58-22-0) → estradiol (50-28-2) + Estrone (53-16-7) + Stanolone (521-18-6) + Androstenedione (63-05-8) + 19-hydroxytestosterone (2126-37-6) + androstanediol (1852-53-5)

Guidance literature:

With L-glutamine; carbon dioxide; Eagle's minimum essential medium; granulosa cells of human follicles; penicillin G; AmBisome; streptomicin; fetal calf serum; at 36 ℃; for 24h; Product distribution; <4-14C>-labelled, metabolism, further in theca cells;

DOI:10.1016/0039-128X(82)90066-6

Reference yield: 95.0%

19-hydroxytestosterone (2126-37-6) + 5-hydro-3-oxaoctafluoropentanesulfonyl fluoride (104729-49-9) → 5β,19-Cycloandrost-1-ene-3,17-dione (3133-52-6)

Guidance literature:

With triethylamine; In toluene; at 30 ℃;

DOI:10.1016/S0022-1139(99)00175-X

upstream raw materials:

Androstenedione

testosterone

Downstream raw materials:

19-hydroxy-4-androstene-3,17-dione

19-hydroxy-5α-androstan-3,17-dione

17β,19-dihydroxy-5β-androstan-3-one

19-hydroxydihydrotestosterone