Hop-21-ene

Base Information

• Chemical Name: Hop-21-ene
• CAS No.: 1615-92-5
• Molecular Formula: C30H50
• Molecular Weight: 410.727
• DSSTox Substance ID: DTXSID80487234
• Metabolomics Workbench ID: 105884
• Nikkaji Number: J1.549.198A,J38.828I
• Wikidata: Q27225580
• Mol file: 1615-92-5.mol

Synonyms:1615-92-5;hop-21-ene;(3aR,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-ylidene-2,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysene;DTXSID80487234;CHEBI:132464;J-009845

Chemical Property of Hop-21-ene

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.51
• Boiling Point: 460.703°C at 760 mmHg
• Flash Point: 232.134°C
• PSA: 0.00000
• Density: 0.942g/cm³
• LogP: 9.19810
• Storage Temp.: −20°C
• XLogP3: 10.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 410.391251595
• Heavy Atom Count: 30
• Complexity: 752

Purity/Quality:

99% ^*data from raw 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: CC(=C1CCC2(C1CCC3(C2CCC4C3(CCC5C4(CCCC5(C)C)C)C)C)C)C
• Isomeric SMILES: CC(=C1CC[C@]2([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)C)C

Technology Process of Hop-21-ene

There total 5 articles about Hop-21-ene 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:

hopan-22-ol (1721-59-1) → hop-22(29)-ene (1615-92-5) + diploptene (1615-91-4,1812-64-2,33323-60-3,33323-61-4,43206-60-6)

Guidance literature:

With acetic anhydride; potassium carbonate; for 1h; Yield given. Yields of byproduct given; Heating;

Reference yield:

2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene (111-02-4) → hop-22(29)-ene (1615-92-5) + diploptene (1615-91-4,1812-64-2,33323-60-3,33323-61-4,43206-60-6) + hopan-22-ol (1721-59-1)

Guidance literature:

With sodium citrate buffer; Alicyclobacillus acidocaldarus squlaene-hopene cyclase Q₂₆₂G; Triton X-100; at 45 ℃; for 1h; pH=6.0; Further Variations:; Temperatures; Reagents; Enzyme kinetics; Product distribution;

DOI:10.1271/bbb.68.728

Reference yield:

2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene (111-02-4) → neohop-13(18)-ene (21681-17-4) + hop-22(29)-ene (1615-92-5) + diploptene (1615-91-4,1812-64-2,33323-60-3,33323-61-4,43206-60-6) + hopan-22-ol (1721-59-1)

Guidance literature:

With 5'-GGATGTTTCAGGGGTCGATATCGCCGGTGTG-3'; In aq. buffer; at 45 ℃; for 12h; Enzymatic reaction;

DOI:10.1002/cbic.201800281

upstream raw materials:

hopan-22-ol

2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene

hydroxyisohopane

Downstream raw materials:

22,29,30-trinor(17αH)-hopan-21-one

trisnor(17α)hopan-21-one

17αH-trisnorhopanone

trisnorhopanone