A'-Neo-22,29,30-trinorgammacerane

Base Information

• Chemical Name: A'-Neo-22,29,30-trinorgammacerane
• CAS No.: 51271-94-4
• Molecular Formula: C27H46
• Molecular Weight: 370.65
• Nikkaji Number: J832.647I
• Wikidata: Q105310022
• Mol file: 51271-94-4.mol

Synonyms:51271-94-4;A'-Neo-22,29,30-trinorgammacerane;(3aR,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene

Chemical Property of A'-Neo-22,29,30-trinorgammacerane

Chemical Property:

• PSA: 0.00000
• LogP: 8.25180
• XLogP3: 10.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 370.359951467
• Heavy Atom Count: 27
• Complexity: 618

Purity/Quality:

99% ^*data from raw suppliers

17BETA(H)-22,29,30-TRISNORHOPANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(CCCC2(C1CCC3(C2CCC4C3(CCC5C4(CCC5)C)C)C)C)C
• Isomeric SMILES: C[C@]12CCC[C@@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCCC5(C)C)C)C)C

Technology Process of A'-Neo-22,29,30-trinorgammacerane

There total 3 articles about A'-Neo-22,29,30-trinorgammacerane 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: 50.0%

S-methyl (21ξ)-22,29,30-trinorhopan-21β-yl dithiocarbonate (95999-07-8) → 17β(H)-22,29,30-trisnorhopane (51271-94-4)

Guidance literature:

With tri-n-butyl-tin hydride;

DOI:10.1021/jo00211a007

Reference yield:

trisnor(17α)hopan-21-one (10379-52-9) → 17β(H)-22,29,30-trisnorhopane (51271-94-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 70 percent / LiAlH₄ / diethyl ether; tetrahydrofuran / 2 h / 0 °C

3: 50 percent / (n-Bu)3SnH

With lithium aluminium tetrahydride; tri-n-butyl-tin hydride; In tetrahydrofuran; diethyl ether;

DOI:10.1021/jo00211a007

Reference yield:

22,29,30-trinorhopan-21-β-ol (2037-37-8) → 17β(H)-22,29,30-trisnorhopane (51271-94-4)

Guidance literature:

Multi-step reaction with 2 steps

2: 50 percent / (n-Bu)3SnH

With tri-n-butyl-tin hydride;

DOI:10.1021/jo00211a007

upstream raw materials:

S-methyl (21ξ)-22,29,30-trinorhopan-21β-yl dithiocarbonate

22,29,30-trinorhopan-21-β-ol

trisnor(17α)hopan-21-one