20,29,30-Trinorlup-13(18)-ene, (17alpha)-

Base Information

• Chemical Name: 20,29,30-Trinorlup-13(18)-ene, (17alpha)-
• CAS No.: 63543-60-2
• Molecular Formula: C₂₇H₄₄
• Molecular Weight: 368.646
• DSSTox Substance ID: DTXSID20979764
• Wikidata: Q82965483
• Mol file: 63543-60-2.mol

Synonyms:63543-60-2;22,29,30-TRISNORNEOHOP-13(18)-ENE;20,29,30-Trinorlup-13(18)-ene, (17alpha)-;(3As,5aS,5bR,7aS,11aS,11bR)-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13-tetradecahydrocyclopenta[a]chrysene;DTXSID20979764;17alpha-20,29,30-Trinorlup-13(18)-ene;20,29,30-Trinorlup-13(18)-ene, (17.alpha.)-;3a,5a,5b,8,8,11a-Hexamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13-octadecahydro-1H-cyclopenta[a]chrysene

Chemical Property of 20,29,30-Trinorlup-13(18)-ene, (17alpha)-

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 431.913°C at 760 mmHg
• Flash Point: 211.318°C
• PSA: 0.00000
• Density: 0.987g/cm³
• LogP: 8.31600
• Storage Temp.: 2-8°C
• XLogP3: 9.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 368.344301404
• Heavy Atom Count: 27
• Complexity: 682

Purity/Quality:

98.5% ^*data from raw suppliers

22,29,30-TRISNORNEOHOP-13(18)-ENE 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xn,N
• Hazard Codes: F,Xn,N
• Statements: 11-38-50/53-65-67
• Safety Statements: 60-61-62

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCCC2(C1CCC3(C2CCC4=C5CCCC5(CCC43C)C)C)C)C
• Isomeric SMILES: C[C@@]12CCCC1=C3CC[C@@H]4[C@]5(CCCC([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C

Technology Process of 20,29,30-Trinorlup-13(18)-ene, (17alpha)-

There total 5 articles about 20,29,30-Trinorlup-13(18)-ene, (17alpha)- 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: 91.0%

22,29,30-trinorhopan-21-β-ol (2037-37-8) → 22,29,30-trinor-28(18-> 17S)abeo-hop-13(18)-ene (63543-60-2)

Guidance literature:

With PPA; at 100 ℃; for 1h;

DOI:10.1021/jo00211a007

Reference yield:

22,29,30-trinor-17α-hopan-21β-ol (96148-63-9) → 22,29,30-trinor-28(18-> 17S)abeo-hop-13(18)-ene (63543-60-2)

Guidance literature:

With PPA; at 100 ℃; for 1h;

DOI:10.1021/jo00211a007

Reference yield:

22,29,30-trinor(17αH)-hopan-21-one (1172-78-7) → 22,29,30-trinor-28(18-> 17S)abeo-hop-13(18)-ene (63543-60-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 58 percent / LiAlH₄ / diethyl ether; tetrahydrofuran / 2 h / 0 °C

2: polyphosphoric acid / 1 h / 100 °C

With lithium aluminium tetrahydride; PPA; In tetrahydrofuran; diethyl ether;

DOI:10.1021/jo00211a007

upstream raw materials:

22,29,30-trinorhopan-21-β-ol

22,29,30-trinor-28(18-> 17S)abeo-hop-13(18)-en-19-one

22,29,30-trinor-17α-hopan-21β-ol

22,29,30-trinor(17αH)-hopan-21-one