Isomultiflorenol

Base Information

• Chemical Name: Isomultiflorenol
• CAS No.: 24462-48-4
• Molecular Formula: C₃₀H₅₀O
• Molecular Weight: 426.726
• DSSTox Substance ID: DTXSID30179218
• Metabolomics Workbench ID: 62098
• Nikkaji Number: J387.517B
• Wikidata: Q27131727
• Mol file: 24462-48-4.mol

Synonyms:isomultiflorenol;(3beta,13alpha,14beta)-13-Methyl-26-norolean-8-en-3-ol;24462-48-4;26-Norolean-8-en-3-ol, 13-methyl-, (3beta,13alpha,14beta)-;13-Methyl-26-norolean-8-en-3-ol (3beta,13alpha,14beta)-;(3S,4aR,6bS,8aR,12aR,12bS,14bS)-4,4,6b,8a,11,11,12b,14b-octamethyl-1,2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14b-icosahydropicen-3-ol;CHEBI:62262;DTXSID30179218;Q27131727

Chemical Property of Isomultiflorenol

Chemical Property:

• PSA: 20.23000
• LogP: 8.31300
• XLogP3: 8.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 426.386166214
• Heavy Atom Count: 31
• Complexity: 803

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC2(CCC3(C4=C(CCC3(C2C1)C)C5(CCC(C(C5CC4)(C)C)O)C)C)C)C
• Isomeric SMILES: C[C@@]12CC[C@@]3(C4=C(CC[C@]3([C@@H]1CC(CC2)(C)C)C)[C@]5(CC[C@@H](C([C@@H]5CC4)(C)C)O)C)C

Technology Process of Isomultiflorenol

There total 19 articles about Isomultiflorenol 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:

alnus-5(10)-en-3β-yl acetate (6449-21-4) → D:C-friedo-olean-8-en-3β-ol (24462-48-4)

Guidance literature:

Multi-step reaction with 4 steps

1: 97 percent / m-chloroperbenzoic acid; Na₂HPO_4.12 H₂O / CHCl₃ / 7 h / 0 °C

2: 81.4 mg / BF_3.OEt₂ / benzene / 0.5 h / Ambient temperature

3: 40 mg / hydrogen / 5percent Pd/C / ethyl acetate / 72 h

4: 13 mg / 5percent KOH / methanol; tetrahydrofuran / 24 h / Ambient temperature

With potassium hydroxide; disodium hydrogenphosphate; boron trifluoride diethyl etherate; hydrogen; 3-chloro-benzenecarboperoxoic acid; palladium on activated charcoal; In tetrahydrofuran; methanol; chloroform; ethyl acetate; benzene;

DOI:10.1246/bcsj.58.185

Reference yield:

5α,10α-epoxyalnusan-3β-yl acetate (92542-02-4) → D:C-friedo-olean-8-en-3β-ol (24462-48-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 81.4 mg / BF_3.OEt₂ / benzene / 0.5 h / Ambient temperature

2: 40 mg / hydrogen / 5percent Pd/C / ethyl acetate / 72 h

3: 13 mg / 5percent KOH / methanol; tetrahydrofuran / 24 h / Ambient temperature

With potassium hydroxide; boron trifluoride diethyl etherate; hydrogen; palladium on activated charcoal; In tetrahydrofuran; methanol; ethyl acetate; benzene;

DOI:10.1246/bcsj.58.185

Reference yield:

multiflora-5,8-dien-3β-yl acetate (89950-02-7) → D:C-friedo-olean-8-en-3β-ol (24462-48-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 40 mg / hydrogen / 5percent Pd/C / ethyl acetate / 72 h

2: 13 mg / 5percent KOH / methanol; tetrahydrofuran / 24 h / Ambient temperature

With potassium hydroxide; hydrogen; palladium on activated charcoal; In tetrahydrofuran; methanol; ethyl acetate;

DOI:10.1246/bcsj.58.185

upstream raw materials:

multiflorenol

isomultiflorenyl acetate

bryonolic acid acetate

Acetic acid (3S,4aR,6bS,8aS,11R,12aR,12bS,14bS)-11-formyl-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14b-icosahydro-picen-3-yl ester

Downstream raw materials:

Isomultiflorenon

Refernces

• 1、 Honda, Chie,Suwa, Kiyoko,Takeyama, Shizuyo,Kamisako, Wasuke. "Relative population of S-form and F-form conformers of bryonolic acid and its derivatives in equilibrium in CDCl3 solutions". . p. 467 - 474. Retrieved 2002.
• 2、 Takai, Masaki,Tori, Motoo,Tsuyuki, Takahiko,Takahashi, Takeyoshi,Itai, Akiko,Iitaka, Yoichi. "A PARTIAL SYNTHESIS OF ISOMULTIFLORENOL FROM DENDROPANOXIDE". . p. 2464 - 2467. Retrieved 2007/10/02.