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

Base Information

• Chemical Name: (8S,9S,10R,13S,14S,17S)-17-[(1S)-1-Hydroxyethyl]-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
• CAS No.: 28507-76-8
• Molecular Formula: C₂₁H₃₄O₂
• Molecular Weight: 318.5
• DSSTox Substance ID: DTXSID301310609

Synonyms:28507-76-8;(8S,9S,10R,13S,14S,17S)-17-[(1S)-1-Hydroxyethyl]-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;SCHEMBL19809562;DTXSID301310609;(20S)-Pregn-4-ene-3,20-diol

Chemical Property of (8S,9S,10R,13S,14S,17S)-17-[(1S)-1-Hydroxyethyl]-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 318.255880323
• Heavy Atom Count: 23
• Complexity: 512

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C1CCC2C1(CCC3C2CCC4=CC(CCC34C)O)C)O
• Isomeric SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(CC[C@]34C)O)C)O

Technology Process of (8S,9S,10R,13S,14S,17S)-17-[(1S)-1-Hydroxyethyl]-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

There total 3 articles about (8S,9S,10R,13S,14S,17S)-17-[(1S)-1-Hydroxyethyl]-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 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:

→ (3S,10R,13S,17S)-17-(1-Hydroxy-ethyl)-10,13-dimethyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol (1808-62-4,7217-07-4,15780-16-2,15780-23-1,28507-76-8,60966-95-2,71628-91-6)

Guidance literature:

aus Dion 2a und Poly(N-isopropyliminoalan) (HAl(N-i-Pr)6;

DOI:10.1016/S0040-4039(01)83768-0

Reference yield:

→ Pregn-4-en-3β,20β-diol (1808-62-4,7217-07-4,15780-16-2,15780-23-1,28507-76-8,60966-95-2,71628-91-6)

Guidance literature:

Progesteron, LiAlH4-tri-tert.-butylat/THF;

DOI:10.1021/jo01277a046

Reference yield:

→ 4-Pregnen-3α,20β-diol (1808-62-4,7217-07-4,15780-16-2,15780-23-1,28507-76-8,60966-95-2,71628-91-6)

Guidance literature:

'Pregnen 1b', Epimeris.;

DOI:10.1016/0039-128X(79)90019-9

Downstream raw materials:

(20S)-20-hydroxypregn-4-en-3-one

20α-hydroxyprogesterone

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