(13S-cis)-13-ethyl-7,11,12,13,16,17-hexahydro-3-methoxy-6H-cyclopenta[a]phenantren-17-ol

Base Information

• Chemical Name: (13S-cis)-13-ethyl-7,11,12,13,16,17-hexahydro-3-methoxy-6H-cyclopenta[a]phenantren-17-ol
• CAS No.: 14507-45-0
• Molecular Formula: C20H24 O2
• Molecular Weight: 296.409
• European Community (EC) Number: 238-512-3
• DSSTox Substance ID: DTXSID101195146
• Nikkaji Number: J241.272A
• Mol file: 14507-45-0.mol

Synonyms:14507-45-0;(13S-cis)-13-ethyl-7,11,12,13,16,17-hexahydro-3-methoxy-6H-cyclopenta[a]phenantren-17-ol;(13S,17S)-13-ethyl-3-methoxy-6,7,11,12,16,17-hexahydrocyclopenta[a]phenanthren-17-ol;(13S-cis)-13-Ethyl-7,11,12,13,16,17-hexahydro-3-methoxy-6H-cyclopenta(a)phenantren-17-ol;ZJQGGFJSKJQCBD-PMACEKPBSA-N;EINECS 238-512-3;SCHEMBL11866986;DTXSID101195146;(17beta)-13-Ethyl-3-methoxygona-1,3,5(10),8,14-pentaen-17-ol

Chemical Property of (13S-cis)-13-ethyl-7,11,12,13,16,17-hexahydro-3-methoxy-6H-cyclopenta[a]phenantren-17-ol

Chemical Property:

• Vapor Pressure: 3.9E-10mmHg at 25°C
• Boiling Point: 482.9°Cat760mmHg
• PKA: 14.55±0.40(Predicted)
• Flash Point: 224.1°C
• PSA: 29.46000
• Density: 1.17g/cm³
• LogP: 4.27620
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 296.177630004
• Heavy Atom Count: 22
• Complexity: 518

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC12CCC3=C(C1=CCC2O)CCC4=C3C=CC(=C4)OC
• Isomeric SMILES: CC[C@]12CCC3=C(C1=CC[C@@H]2O)CCC4=C3C=CC(=C4)OC

Technology Process of (13S-cis)-13-ethyl-7,11,12,13,16,17-hexahydro-3-methoxy-6H-cyclopenta[a]phenantren-17-ol

There total 6 articles about (13S-cis)-13-ethyl-7,11,12,13,16,17-hexahydro-3-methoxy-6H-cyclopenta[a]phenantren-17-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:

(13R,17S)-E-13-ethyl-3-methoxy-8,14-secogona-1,3,5(10),9(11)-tetraene-17-ol-14-one (51773-49-0) → 13β-Aethyl-3-methoxy-gonapentaen-(1.3.5(10).8.14)-ol-(17β) (14507-45-0)

Guidance literature:

With hydrogenchloride; In methanol; dichloromethane; Heating;

DOI:10.1002/jlac.19677020118

Reference yield:

ethyl secodione (62298-52-6) → 13β-Aethyl-3-methoxy-gonapentaen-(1.3.5(10).8.14)-ol-(17β) (14507-45-0)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / (microbiological transformation)

2: aq. HCl / methanol; CH₂Cl₂ / Heating

With hydrogenchloride; In methanol; ethanol; dichloromethane;

DOI:10.1002/jlac.19677020118

Reference yield:

→ 13β-Aethyl-3-methoxy-gonapentaen-(1.3.5(10).8.14)-ol-(17β) (14507-45-0)

Guidance literature:

Entspr. Keton, NaBH4;

upstream raw materials:

(13R,17S)-E-13-ethyl-3-methoxy-8,14-secogona-1,3,5⁽¹⁰⁾,9⁽¹¹⁾-tetraene-17-ol-14-one

ethyl secodione

(+/-)-13-ethyl-3-methoxygona-1,3,5⁽¹⁰⁾,8,14-pentaen-17-one

2-ethylcyclopentane-1,3-dione

Downstream raw materials:

(+)-17β-hydroxy-13β-ethyl-3-methoxygona-1,3,5(10)-triene

dl-13-ethyl-3-methoxygona-1,3,5⁽¹⁰⁾-trien-17-one

18-methyl-3-methoxy-1,3,5(10),8-estratetraen-17β-ol

17β-Hydroxy-3-methoxy-13β-ethyl-17α-ethinyl-gonatrien-<1,3,5(10)>