Tricyclohumuladiol

Base Information

• Chemical Name: Tricyclohumuladiol
• CAS No.: 21446-02-6
• Molecular Formula: C₁₅H₂₆O₂
• Molecular Weight: 238.37
• ChEMBL ID: CHEMBL465350
• DSSTox Substance ID: DTXSID301316114
• Metabolomics Workbench ID: 136800
• Nikkaji Number: J15.970K
• Wikidata: Q104399487
• Mol file: 21446-02-6.mol

Synonyms:tricyclohumuladiol;21446-02-6;CHEMBL465350;DTXSID301316114

Chemical Property of Tricyclohumuladiol

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 238.193280068
• Heavy Atom Count: 17
• Complexity: 351

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC2C1C3CC3(C(CCC2(C)O)O)C)C
• Isomeric SMILES: C[C@@]1(CC[C@H]([C@@]2(C[C@@H]2[C@@H]3[C@@H]1CC3(C)C)C)O)O

Technology Process of Tricyclohumuladiol

There total 1 articles about Tricyclohumuladiol 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:

humulene 9,10-epoxide (21624-36-2,69880-55-3,73951-53-8,87205-68-3) → Humulenol-II (80408-11-3) + 4,8,11,11-tetramethyltricyclo<7.2.0.02,4>undecane-5,8-diol (21446-02-6,21446-05-9,29479-25-2) + 1,5,8,8-tetramethyl-8-bicyclo<8.1.0>undecene-2,9-diol (142722-69-8) + 2,6,6,9-tetramethyl-cycloundeca-4t,8t-diene-1r,2c-diol (26462-64-6,67737-69-3,67737-70-6,69350-66-9,69350-67-0,69830-90-6,80373-98-4) + 4,8,11,11-tetramethyltricyclo<6.3.0.02,4>undecane-5,9-diol (67697-15-8,69350-65-8,133645-23-5,142793-73-5) + humulene epoxide II (19888-34-7,67737-67-1,90820-79-4,108101-44-6,831227-95-3)

Guidance literature:

With potassium dihydrogenphosphate; sodium acetate; acetic acid; In ethanol; for 3h; Mechanism; Heating; pH=4; also hydrolysis and isomerization of humulene epoxide II;

DOI:10.1021/jo00043a033

upstream raw materials:

humulene 9,10-epoxide

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